[1-(2-chlorophenyl)cyclopropyl]methanamine

• ChemBase ID: 244903
• Molecular Formular: C10H12ClN
• Molecular Mass: 181.66198
• Monoisotopic Mass: 181.06582707
• SMILES: C1(CC1)(c1c(Cl)cccc1)CN
• Canonical SMILES: NCC1(CC1)c1ccccc1Cl
• InChI: InChI=1S/C10H12ClN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-7,12H2
• InChIKey: CRWHSVSJTVKGCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-chlorophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2-chlorophenyl)cyclopropyl]methanamine
• Synonyms: [1-(2-chlorophenyl)cyclopropyl]methanamine; C-[1-(2-CHLORO-PHENYL)-CYCLOPROPYL]-METHYLAMINE

Database IDs

• MDL Number: MFCD07374421
• PubChem SID: 164300813
• PubChem CID: 15611186

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7064573
• LogD (pH = 7.4): 0.30829334
• Log P: 2.270968
• Molar Refractivity: 51.1587 cm^3
• Polarizability: 20.275215 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.58

Product Information

• Purity: 95%; 98%