[2-(4-chlorophenyl)ethyl](cyclopropylmethyl)amine

• ChemBase ID: 276145
• Molecular Formular: C12H16ClN
• Molecular Mass: 209.71514
• Monoisotopic Mass: 209.0971272
• SMILES: C1CC1CNCCc1ccc(Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)CCNCC1CC1
• InChI: InChI=1S/C12H16ClN/c13-12-5-3-10(4-6-12)7-8-14-9-11-1-2-11/h3-6,11,14H,1-2,7-9H2
• InChIKey: PUYOKMJGJLEVMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12109151
• PubChem SID: 164332055
• PubChem CID: 43654887

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.026180508
• LogD (pH = 7.4): 0.44406533
• Log P: 3.2048779
• Molar Refractivity: 60.8078 cm^3
• Polarizability: 23.960466 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.265

Product Information

• Purity: 95%