1.0 2026-09-21 17:24:23 UTC 2026-09-21 17:24:23 UTC FDB116803 Damascenine methyl 3-methoxy-2-(methylamino)benzoate C10H13NO3 195.218 195.089543283 methyl 3-methoxy-2-(methylamino)benzoate nigelline CNC1=C(OC)C=CC=C1C(=O)OC InChI=1S/C10H13NO3/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2/h4-6,11H,1-3H3 ZRWJIZYZTLTXJI-UHFFFAOYSA-N belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. M-methoxybenzoic acids and derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Alkyl aryl ethers Amino acids and derivatives Aminobenzoic acids and derivatives Aminophenyl ethers Anisoles Benzoic acid esters Benzoyl derivatives Hydrocarbon derivatives Methoxyanilines Methoxybenzenes Methyl esters Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Phenylalkylamines Secondary alkylarylamines Vinylogous amides Alkyl aryl ether Amine Amino acid or derivatives Aminobenzoic acid or derivatives Aminophenyl ether Aniline or substituted anilines Anisole Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Ether Hydrocarbon derivative M-methoxybenzoic acid or derivatives Methoxyaniline Methoxybenzene Methyl ester Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Phenylalkylamine Secondary aliphatic/aromatic amine Secondary amine Vinylogous amide methoxybenzoic acid logp 1.80 ALOGPS logs -1.90 ALOGPS solubility 2.45e+00 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_acidic 17.54 ChemAxon pka_strongest_basic 2.59 ChemAxon iupac methyl 3-methoxy-2-(methylamino)benzoate ChemAxon average_mass 195.218 ChemAxon mono_mass 195.089543283 ChemAxon smiles CNC1=C(OC)C=CC=C1C(=O)OC ChemAxon formula C10H13NO3 ChemAxon inchi InChI=1S/C10H13NO3/c1-11-9-7(10(12)14-3)5-4-6-8(9)13-2/h4-6,11H,1-3H3 ChemAxon inchikey ZRWJIZYZTLTXJI-UHFFFAOYSA-N ChemAxon polar_surface_area 47.56 ChemAxon refractivity 54.74 ChemAxon polarizability 20.36 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon