Molecule ID: 838

IUPAC Name: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol

Description: The molecule is a catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. It has a role as a human metabolite.

SMILES: CNCC(O)c1ccc(O)c(O)c1

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

InChI: InChI=1S/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3

Molecular Properties:
- Polar Surface Area: 72.7 Ų
- LogP: -1.4