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

• ChemBase ID: 180862
• Molecular Formular: C16H26ClNO2
• Molecular Mass: 299.83614
• Monoisotopic Mass: 299.16520676
• SMILES: c1(cc(c(cc1)OC)OC)C1(CNCC)CCCC1.Cl
• Canonical SMILES: CCNCC1(CCCC1)c1ccc(c(c1)OC)OC.Cl
• InChI: InChI=1S/C16H25NO2.ClH/c1-4-17-12-16(9-5-6-10-16)13-7-8-14(18-2)15(11-13)19-3;/h7-8,11,17H,4-6,9-10,12H2,1-3H3;1H
• InChIKey: GYBZHCCFIIEPFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164236772
• PubChem CID: 2851869

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.19720553
• LogD (pH = 7.4): 0.36005542
• Log P: 3.0301063
• Molar Refractivity: 78.0055 cm^3
• Polarizability: 30.822006 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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