Molecule ID: 8421

IUPAC Name: 2-(3,4-dimethoxyphenyl)ethanamine

Description: The molecule is an aromatic ether that is the derivative of 2-phenylethylamine with methoxy substituents at the 3- and 4-positions. It is an alkaloid isolated from the Cactaceae family. It has a role as a plant metabolite and an allergen. It is a phenylethylamine, an aromatic ether and an alkaloid. It derives from a hydride of a 2-phenylethylamine.

SMILES: COc1ccc(CCN)cc1OC

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

InChI: InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3

Molecular Properties:
- Polar Surface Area: 44.5 Ų
- LogP: 0.8