Molecule ID: 8769

IUPAC Name: 2-[ethyl(2-hydroxyethyl)amino]ethanol

Description: The molecule is a aminodiol that is diethanolamine in which the amino hydrogen has been replaced by an ethyl group. It is a metabolite of nitrogen mustards. It has a role as a human urinary metabolite, a human xenobiotic metabolite and a rat metabolite. It is an aminodiol, a tertiary amino compound and a primary alcohol. It derives from an ethanolamine.

SMILES: CCN(CCO)CCO

SELFIES: [C][C][N][Branch1][Ring2][C][C][O][C][C][O]

InChI: InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3

Molecular Properties:
- Polar Surface Area: 43.7 Ų
- LogP: 0.1