Molecule ID: 105039

IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine

Description: The molecule is a secondary amino compound that is N-ethylisopropylamine in which a hydrogen of one of the isopropyl methyl groups has been replaced by a 3,4-methylenedioxyphenyl group. It is a member of benzodioxoles and a secondary amino compound.

SMILES: CCNC(C)Cc1ccc2c(c1)OCO2

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

InChI: InChI=1S/C12H17NO2/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11/h4-5,7,9,13H,3,6,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 30.5 Ų
- LogP: 2.5