[1-(2-fluorophenyl)cyclopropyl]methanamine

• ChemBase ID: 276886
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C1(CC1)(c1c(F)cccc1)CN
• Canonical SMILES: NCC1(CC1)c1ccccc1F
• InChI: InChI=1S/C10H12FN/c11-9-4-2-1-3-8(9)10(7-12)5-6-10/h1-4H,5-7,12H2
• InChIKey: BPLHMJLSKPXLEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 886365-63-5
• MDL Number: MFCD07374420
• PubChem SID: 164332796
• PubChem CID: 24274293

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.162586
• LogD (pH = 7.4): -0.11529348
• Log P: 1.8096251
• Molar Refractivity: 46.5703 cm^3
• Polarizability: 18.060883 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.01

Product Information

• Purity: 95%; 98%