Molecule ID: 253994

IUPAC Name: 5-[[2-(4-hydroxyphenyl)ethylamino]methyl]-2-methoxyphenol

Description: The molecule is a phenethylamine alkaloid that is norbelladine in which the phenolic hydrogen at position 4' has been replaced by a methyl group. It has a role as a plant metabolite. It is a polyphenol, a secondary amino compound, a phenethylamine alkaloid and a member of guaiacols. It derives from a norbelladine. It is a conjugate base of a 4'-O-methylnorbelladine(1+).

SMILES: COc1ccc(CNCCc2ccc(O)cc2)cc1O

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

InChI: InChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3

Molecular Properties:
- Polar Surface Area: 61.7 Ų
- LogP: 2.5