Molecule ID: 416247

IUPAC Name: 4-[[2-(4-hydroxyphenyl)ethylamino]methyl]benzene-1,2-diol

Description: The molecule is a phenethylamine alkaloid that is tyramine in which one of the amino hydrogens has been replaced by a 3,4-dihydroxybenzyl group. It has a role as a plant metabolite. It is a phenethylamine alkaloid, a polyphenol, a secondary amino compound and a member of catechols. It derives from a tyramine. It is a conjugate base of a norbelladine(1+).

SMILES: Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1

SELFIES: [O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C]

InChI: InChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2

Molecular Properties:
- Polar Surface Area: 72.7 Ų
- LogP: 2.2