[3-(3-chlorophenyl)propyl](methyl)amine

• ChemBase ID: 808754
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: N(C)CCCc1cc(ccc1)Cl
• Canonical SMILES: CNCCCc1cccc(c1)Cl
• InChI: InChI=1S/C10H14ClN/c1-12-7-3-5-9-4-2-6-10(11)8-9/h2,4,6,8,12H,3,5,7H2,1H3
• InChIKey: WRGBEJBVJXBDKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(3-chlorophenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(3-chlorophenyl)propyl](methyl)amine
• Synonyms: [3-(3-CHLORO-PHENYL)-PROPYL]-METHYL-AMINE

Database IDs

• CAS Number: 103275-33-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.36011744
• LogD (pH = 7.4): 0.16048223
• Log P: 2.8688693
• Molar Refractivity: 53.4668 cm^3
• Polarizability: 21.008974 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%