[(3-methoxy-4-propoxyphenyl)methyl](propyl)amine hydrochloride

• ChemBase ID: 234319
• Molecular Formular: C14H24ClNO2
• Molecular Mass: 273.79886
• Monoisotopic Mass: 273.14955669
• SMILES: c1(c(ccc(c1)CNCCC)OCCC)OC.Cl
• Canonical SMILES: CCCNCc1ccc(c(c1)OC)OCCC.Cl
• InChI: InChI=1S/C14H23NO2.ClH/c1-4-8-15-11-12-6-7-13(17-9-5-2)14(10-12)16-3;/h6-7,10,15H,4-5,8-9,11H2,1-3H3;1H
• InChIKey: ADRCEPQNAAWZEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-methoxy-4-propoxyphenyl)methyl](propyl)amine hydrochloride
• IUPAC Traditional name: [(3-methoxy-4-propoxyphenyl)methyl](propyl)amine hydrochloride
• Synonyms: N-(3-methoxy-4-propoxybenzyl)-N-propylamine hydrochloride

Database IDs

• MDL Number: MFCD06635394
• PubChem SID: 164290229
• PubChem CID: 2992156

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21869233
• LogD (pH = 7.4): 0.7465067
• Log P: 2.974913
• Molar Refractivity: 70.7776 cm^3
• Polarizability: 27.944992 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.284

Product Information

• Purity: 95%
• Salt Data: HCl