[2-(4-fluorophenyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 284211
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: C1(CC1CN)c1ccc(cc1)F.Cl
• Canonical SMILES: NCC1CC1c1ccc(cc1)F.Cl
• InChI: InChI=1S/C10H12FN.ClH/c11-9-3-1-7(2-4-9)10-5-8(10)6-12;/h1-4,8,10H,5-6,12H2;1H
• InChIKey: LPQAVKPTKBXDEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502100
• PubChem SID: 180669742
• PubChem CID: 16047422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3015165
• LogD (pH = 7.4): -0.7829561
• Log P: 1.7186434
• Molar Refractivity: 46.7208 cm^3
• Polarizability: 18.060728 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 167 - 169°C
• Hydrophobicity(logP): 1.86

Product Information

• Purity: 95%