[2-(4-chlorophenyl)ethyl](methyl)amine hydrochloride

• ChemBase ID: 248277
• Molecular Formular: C9H13Cl2N
• Molecular Mass: 206.11222
• Monoisotopic Mass: 205.04250478
• SMILES: c1(Cl)ccc(cc1)CCNC.Cl
• Canonical SMILES: CNCCc1ccc(cc1)Cl.Cl
• InChI: InChI=1S/C9H12ClN.ClH/c1-11-7-6-8-2-4-9(10)5-3-8;/h2-5,11H,6-7H2,1H3;1H
• InChIKey: SAFSBLKRABQRGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-chlorophenyl)ethyl](methyl)amine hydrochloride
• IUPAC Traditional name: [2-(4-chlorophenyl)ethyl](methyl)amine hydrochloride
• Synonyms: [2-(4-chlorophenyl)ethyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD10565660
• PubChem SID: 164304187
• PubChem CID: 71758433

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7983085
• LogD (pH = 7.4): -0.1527349
• Log P: 2.4243004
• Molar Refractivity: 48.8658 cm^3
• Polarizability: 19.161211 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.292

Product Information

• Purity: 95%