[1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine

• ChemBase ID: 245183
• Molecular Formular: C10H11ClFN
• Molecular Mass: 199.6524432
• Monoisotopic Mass: 199.05640526
• SMILES: C1(c2c(cc(cc2)F)Cl)(CC1)CN
• Canonical SMILES: NCC1(CC1)c1ccc(cc1Cl)F
• InChI: InChI=1S/C10H11ClFN/c11-9-5-7(12)1-2-8(9)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2
• InChIKey: SCPBZRFWVFNQHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine
• Synonyms: [1-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine

Database IDs

• MDL Number: MFCD17282025
• PubChem SID: 164301093
• PubChem CID: 63035268

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5645766
• LogD (pH = 7.4): 0.44477388
• Log P: 2.4136698
• Molar Refractivity: 51.3751 cm^3
• Polarizability: 19.955864 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.723

Product Information

• Purity: 95%