Molecule ID: 11425005

IUPAC Name: 2-[(4-methylphenyl)methylamino]benzoic acid

Description: The molecule is an aminobenzoic acid that is anthranilic acid in which one of the hydrogens of the amino group is replaced by a 4-methylbenzyl group. Isolated from Onosma hispida, it exhibits inhibitory activity against lipoxygenase. It has a role as a lipoxygenase inhibitor and a plant metabolite. It is an aminobenzoic acid and a secondary amino compound. It derives from an anthranilic acid.

SMILES: Cc1ccc(CNc2ccccc2C(=O)O)cc1

SELFIES: [C][C][=C][C][=C][Branch1][S][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][P]

InChI: InChI=1S/C15H15NO2/c1-11-6-8-12(9-7-11)10-16-14-5-3-2-4-13(14)15(17)18/h2-9,16H,10H2,1H3,(H,17,18)

Molecular Properties:
- Polar Surface Area: 49.3 Ų
- LogP: 4.0