Molecule ID: 681

IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol

Description: The molecule is catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. It has a role as a cardiotonic drug, a beta-adrenergic agonist, a dopaminergic agent, a sympathomimetic agent, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a conjugate base of a dopaminium(1+).

SMILES: NCCc1ccc(O)c(O)c1

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

InChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

Molecular Properties:
- Polar Surface Area: 66.5 Ų
- LogP: -1.0