Molecule ID: 4380

IUPAC Name: 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine

Description: The molecule is an aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and an antidepressant. It is a tertiary amino compound, a terminal acetylenic compound, an aromatic ether and a dichlorobenzene.

SMILES: C#CCN(C)CCCOc1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3

Molecular Properties:
- Polar Surface Area: 12.5 Ų
- LogP: 4.2