Molecule ID: 913

IUPAC Name: 2-(methylamino)-1-phenylethanol

Description: The molecule is an alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica. It has a role as a human metabolite and a plant metabolite. It is an alkaloid and a member of phenylethanolamines. It is a conjugate base of a N-methylphenylethanolaminium.

SMILES: CNCC(O)c1ccccc1

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

InChI: InChI=1S/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3

Molecular Properties:
- Polar Surface Area: 32.299 Ų
- LogP: -0.3