1.0 2011-09-21 00:04:22 UTC 2025-11-19 02:40:16 UTC FDB021876 3-Methoxytyramine The O-methylated derivative of dopamine. Dopamine is methylated by catechol-O-methyltransferase (COMT) to make 3-Methoxytyramine. This compound can be broken down to homovanillic acid by monoamine oxidase and aldehyde dehydrogenase. Elevated concentrations of this compound are indicated for a variety of brain and carcinoid tumors as well as certain mental disorders. [HMDB] 3-Methoxy-4-hydroxyphenylethyl amine 3-Methoxytyramine 3-O-methyldopamine 4-(2-amino-ethyl)-2-methoxy-phenol 4-(2-aminoethyl)-2-methoxy-Phenol 4-(2-Aminoethyl)-2-methoxyphenol 5-(2-aminoethyl)guaiacol C9H13NO2 167.205 167.094628665 4-(2-aminoethyl)-2-methoxyphenol methoxytyramine 554-52-9 COC1=C(O)C=CC(CCN)=C1 InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 DIVQKHQLANKJQO-UHFFFAOYSA-N belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. Methoxyphenols Organic compounds Benzenoids Phenols Methoxyphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 2-arylethylamines Alkyl aryl ethers Anisoles Aralkylamines Hydrocarbon derivatives Methoxybenzenes Monoalkylamines Organopnictogen compounds Phenethylamines Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 2-arylethylamine Alkyl aryl ether Amine Anisole Aralkylamine Aromatic homomonocyclic compound Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenethylamine Phenol ether Phenoxy compound Primary aliphatic amine Primary amine methoxybenzene phenols Solid logp -0.04 ALOGPS logs -1.49 ALOGPS solubility 5.36e+00 g/l ALOGPS logp 0.53 ChemAxon pka_strongest_acidic 10.39 ChemAxon pka_strongest_basic 9.64 ChemAxon iupac 4-(2-aminoethyl)-2-methoxyphenol ChemAxon average_mass 167.205 ChemAxon mono_mass 167.094628665 ChemAxon smiles COC1=C(O)C=CC(CCN)=C1 ChemAxon formula C9H13NO2 ChemAxon inchi InChI=1S/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3 ChemAxon inchikey DIVQKHQLANKJQO-UHFFFAOYSA-N ChemAxon polar_surface_area 55.48 ChemAxon refractivity 47.73 ChemAxon polarizability 18.21 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Tyrosine Metabolism SMP00006 map00350 Specdb::MsIr 103 Specdb::MsIr 104 Specdb::MsIr 105 Specdb::CMs 1749 Specdb::CMs 25307 Specdb::CMs 30958 Specdb::CMs 37250 Specdb::CMs 154092 Specdb::CMs 1047050 Specdb::CMs 1047051 Specdb::CMs 1047053 Specdb::NmrTwoD 929 Specdb::MsMs 39 Specdb::MsMs 40 Specdb::MsMs 41 Specdb::MsMs 322024 Specdb::MsMs 322025 Specdb::MsMs 322026 Specdb::MsMs 369811 Specdb::MsMs 369812 Specdb::MsMs 369813 Specdb::MsMs 440152 Specdb::MsMs 451979 Specdb::MsMs 2226869 Specdb::MsMs 2227870 Specdb::MsMs 2229268 Specdb::MsMs 2230167 Specdb::MsMs 2231579 Specdb::MsMs 2232637 Specdb::MsMs 2233896 Specdb::MsMs 2235011 Specdb::MsMs 2254798 Specdb::MsMs 2432665 Specdb::MsMs 2432666 Specdb::MsMs 2432667 Specdb::MsMs 2502605 Specdb::MsMs 2502606 Specdb::NmrOneD 1036 Specdb::NmrOneD 5372 Specdb::NmrOneD 5373 Specdb::NmrOneD 5374 Specdb::NmrOneD 5375 Specdb::NmrOneD 5376 Specdb::NmrOneD 5377 Specdb::NmrOneD 5378 Specdb::NmrOneD 5379 Specdb::NmrOneD 5380 Specdb::NmrOneD 5381 Specdb::NmrOneD 5382 Specdb::NmrOneD 5383 Specdb::NmrOneD 5384 Specdb::NmrOneD 5385 Specdb::NmrOneD 5386 Specdb::NmrOneD 5387 Specdb::NmrOneD 5388 Specdb::NmrOneD 5389 Specdb::NmrOneD 5390 Specdb::NmrOneD 5391 HMDB00022 #<Reference:0x000055ce30045368> #<Reference:0x000055ce300451b0> #<Reference:0x000055ce30044ff8> #<Reference:0x000055ce30044e40> #<Reference:0x000055ce30044c88> #<Reference:0x000055ce30044ad0> #<Reference:0x000055ce30044918> #<Reference:0x000055ce30044760> #<Reference:0x000055ce300445a8> #<Reference:0x000055ce300443f0> #<Reference:0x000055ce30044238> #<Reference:0x000055ce30044080> #<Reference:0x000055ce3003fdf0> #<Reference:0x000055ce3003fc10> #<Reference:0x000055ce3003fa58> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823