N-Methyl-N-Propargyl-3-(2,4-Dichlorophenoxy)Propylamine

Status : experimental

Description

An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE. [PubChem]

Chemical Classification

This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.

Phenol ethers

Organic compounds

Benzenoids

Benzene and substituted derivatives

Phenol ethers

Calculated Property

kind Value Source
logP 3.71 ALOGPS
logS -4.3 ALOGPS
Water Solubility 1.40e-02 g/l ALOGPS
logP 3.33 ChemAxon
IUPAC Name [3-(2,4-dichlorophenoxy)propyl](methyl)(prop-2-yn-1-yl)amine ChemAxon
Traditional IUPAC Name clorgyline ChemAxon
Molecular Weight 272.17 ChemAxon
Monoisotopic Weight 271.053069521 ChemAxon
SMILES CN(CCCOC1=CC=C(Cl)C=C1Cl)CC#C ChemAxon
Molecular Formula C13H15Cl2NO ChemAxon
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 ChemAxon
InChIKey InChIKey=BTFHLQRNAMSNLC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 12.47 ChemAxon
Refractivity 72.6 ChemAxon
Polarizability 28.35 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 2 ChemAxon
H Bond Donor Count 0 ChemAxon
pKa (strongest basic) 8.4 ChemAxon
Physiological Charge 1 ChemAxon
Number of Rings 1 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Amine oxidase [flavin-containing] A : in Human