1.02010-04-08 22:09:12 UTC2019-11-26 03:03:51 UTCFDB010581N-MethylphenethylamineN-methylphenethylamine, also known as N-methylphenethylamine hydrochloride or N-methylphenethylamine, conjugate acid, is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. N-methylphenethylamine is slightly soluble (in water) and a very strong basic compound (based on its pKa). N-methylphenethylamine can be found in a number of food items such as apple, white cabbage, carrot, and cabbage, which makes N-methylphenethylamine a potential biomarker for the consumption of these food products. N-Methylphenethylamine (NMPEA) is a naturally occurring trace amine neuromodulator in humans that is derived from the trace amine, phenethylamine (PEA). It has been detected in human urine (<1 μg over 24 hours) and is produced by phenylethanolamine N-methyltransferase with phenethylamine as a substrate. PEA and NMPEA are both alkaloids that are found in a number of different plant species as well. Some Acacia species, such as A. rigidula, contain remarkably high levels of NMPEA (~2300–5300 ppm). NMPEA is also present at low concentrations (< 10 ppm) in a wide range of foodstuffs .α-phenyl-β-methylaminoethane1-Phenyl-2-methylamino-aethan1-Phenyl-2-methylaminoethaneAlpha-phenyl-beta-methylaminoethaneBenzeneethanamine, n-methyl-Benzeneethanamine, N-methyl- (9CI)Methyl-phenethyl-amineN-(phenylethyl)methylamineN-methyl-β-phenethylamineN-methyl-β-phenylaethylaminN-methyl-β-phenylethylamineN-Methyl-2-phenylethanamineN-Methyl-2-phenylethylamineN-Methyl-beta-phenethylamineN-methyl-beta-phenylaethylaminN-methyl-beta-phenylethylamineN-Methyl-N-(2-phenylethyl)amineN-methyl-phenethylamineN-methylbenzeneethanamineN-MethylphenethylamineN-methylphenylethylaminePhenethylamine, n-methyl-C9H13N135.2062135.104799421methyl(2-phenylethyl)aminemethylphenethylamine589-08-2CNCCC1=CC=CC=C1InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3SASNBVQSOZSTPD-UHFFFAOYSA-N belongs to the class of organic compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.PhenethylaminesOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenethylaminesAromatic homomonocyclic compoundsAralkylaminesDialkylaminesHydrocarbon derivativesOrganopnictogen compoundsAmineAralkylamineAromatic homomonocyclic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundPhenethylamineSecondary aliphatic amineSecondary aminelogp1.75logs-1.62solubility3.28e+00 g/llogp1.82pka_strongest_basic10.13iupacmethyl(2-phenylethyl)amineaverage_mass135.2062mono_mass135.104799421smilesCNCCC1=CC=CC=C1formulaC9H13NinchiInChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3inchikeySASNBVQSOZSTPD-UHFFFAOYSA-Npolar_surface_area12.03refractivity44.06polarizability16.42rotatable_bond_count3acceptor_count1donor_count1physiological_charge1formal_charge0Specdb::EiMs1771Specdb::NmrOneD3912Specdb::NmrOneD4190Specdb::MsMs90900Specdb::MsMs90901Specdb::MsMs90902Specdb::MsMs154170Specdb::MsMs154171Specdb::MsMs154172Specdb::MsMs3605161Specdb::MsMs3605162Specdb::MsMs3605163Specdb::MsMs3605164Specdb::MsMs3605165Specdb::MsMs3605166AppleType 1specificMalus pumila2832100.1250.130.12mg/100 gCabbageType 1specificBrassica oleracea var. capitata37160.210.210.21mg/100 gCarrotType 1specificDaucus carota ssp. sativus792000.20.20.2mg/100 gCornType 1specificZea mays45770.110.110.11mg/100 gSoy beanType 1specificGlycine max3847SpinachType 1specificSpinacia oleracea3562White cabbageType 1specificBrassica oleracea L. var. capitata L. f. alba DC.0.210.210.21mg/100 gWild carrotType 1specificDaucus carota40390.20.20.2mg/100 gWild celeryType 1specificApium graveolens4045