[1-(2-chlorophenyl)-2-methylpropyl](methyl)amine hydrochloride

• ChemBase ID: 274318
• Molecular Formular: C11H17Cl2N
• Molecular Mass: 234.16538
• Monoisotopic Mass: 233.07380491
• SMILES: c1(C(NC)C(C)C)c(Cl)cccc1.Cl
• Canonical SMILES: CNC(c1ccccc1Cl)C(C)C.Cl
• InChI: InChI=1S/C11H16ClN.ClH/c1-8(2)11(13-3)9-6-4-5-7-10(9)12;/h4-8,11,13H,1-3H3;1H
• InChIKey: GWMXSHDMZLBOMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-chlorophenyl)-2-methylpropyl](methyl)amine hydrochloride
• IUPAC Traditional name: [1-(2-chlorophenyl)-2-methylpropyl](methyl)amine hydrochloride
• Synonyms: [1-(2-chlorophenyl)-2-methylpropyl](methyl)amine hydrochloride

Database IDs

• MDL Number: MFCD18838778
• PubChem SID: 164330228
• PubChem CID: 54593120

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.31149343
• LogD (pH = 7.4): 1.5865145
• Log P: 3.4397097
• Molar Refractivity: 57.5252 cm^3
• Polarizability: 22.93348 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 176 - 178°C
• Hydrophobicity(logP): 3.46

Product Information

• Purity: 95%