[1-(4-chlorophenyl)propan-2-yl](methyl)amine

• ChemBase ID: 277049
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c1(Cl)ccc(CC(NC)C)cc1
• Canonical SMILES: CNC(Cc1ccc(cc1)Cl)C
• InChI: InChI=1S/C10H14ClN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3
• InChIKey: XXLWNLKEOWWHDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-chlorophenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: chlormethamphetamine
• Synonyms: [1-(4-chlorophenyl)propan-2-yl](methyl)amine

Database IDs

• MDL Number: MFCD01708360
• PubChem SID: 164332959
• PubChem CID: 3128

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.38513097
• LogD (pH = 7.4): 0.19860642
• Log P: 2.8408756
• Molar Refractivity: 53.2846 cm^3
• Polarizability: 21.005487 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.601

Product Information

• Purity: 95%