N-[1-(2-chlorophenyl)ethyl]cyclopropanamine

• ChemBase ID: 255597
• Molecular Formular: C11H14ClN
• Molecular Mass: 195.68856
• Monoisotopic Mass: 195.08147713
• SMILES: c1(C(NC2CC2)C)c(Cl)cccc1
• Canonical SMILES: CC(c1ccccc1Cl)NC1CC1
• InChI: InChI=1S/C11H14ClN/c1-8(13-9-6-7-9)10-4-2-3-5-11(10)12/h2-5,8-9,13H,6-7H2,1H3
• InChIKey: LLWLXYGPGGEOBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-chlorophenyl)ethyl]cyclopropanamine
• IUPAC Traditional name: N-[1-(2-chlorophenyl)ethyl]cyclopropanamine
• Synonyms: N-[1-(2-chlorophenyl)ethyl]cyclopropanamine

Database IDs

• MDL Number: MFCD09742653
• PubChem SID: 164311507
• PubChem CID: 16795831

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.12187619
• LogD (pH = 7.4): 1.7432333
• Log P: 3.0177789
• Molar Refractivity: 55.7408 cm^3
• Polarizability: 22.198795 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.886

Product Information

• Purity: 95%