1-(4-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride

• ChemBase ID: 246980
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: C1(CC1C)(c1ccc(cc1)F)N.Cl
• Canonical SMILES: CC1CC1(N)c1ccc(cc1)F.Cl
• InChI: InChI=1S/C10H12FN.ClH/c1-7-6-10(7,12)8-2-4-9(11)5-3-8;/h2-5,7H,6,12H2,1H3;1H
• InChIKey: YEJFWMARYUZSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(4-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride
• Synonyms: 1-(4-fluorophenyl)-2-methylcyclopropan-1-amine hydrochloride

Database IDs

• PubChem SID: 164302890
• PubChem CID: 71758127

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.99880725
• LogD (pH = 7.4): -0.119481675
• Log P: 1.9960222
• Molar Refractivity: 46.3202 cm^3
• Polarizability: 18.134497 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.1

Product Information

• Purity: 95%