{[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}(methyl)amine hydrochloride

• ChemBase ID: 182312
• Molecular Formular: C15H24ClNO2
• Molecular Mass: 285.80956
• Monoisotopic Mass: 285.14955669
• SMILES: c1(cc(c(cc1)OC)OC)C1(CNC)CCCC1.Cl
• Canonical SMILES: CNCC1(CCCC1)c1ccc(c(c1)OC)OC.Cl
• InChI: InChI=1S/C15H23NO2.ClH/c1-16-11-15(8-4-5-9-15)12-6-7-13(17-2)14(10-12)18-3;/h6-7,10,16H,4-5,8-9,11H2,1-3H3;1H
• InChIKey: ZJKHNFMZGHYOPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}(methyl)amine hydrochloride
• IUPAC Traditional name: {[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl}(methyl)amine hydrochloride

Database IDs

• PubChem SID: 164238222
• PubChem CID: 44827819

CALCULATED PROPERTIES

• LogD (pH = 5.5): -0.5511538
• LogD (pH = 7.4): 0.06203497
• Log P: 2.6732984
• Molar Refractivity: 73.2569 cm^3
• Polarizability: 28.977665 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds