(R)-cyclopropyl(4-fluorophenyl)methanamine hydrochloride

• ChemBase ID: 97695
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: N[C@@H](c1ccc(cc1)F)C1CC1.Cl
• Canonical SMILES: N[C@@H](c1ccc(cc1)F)C1CC1.Cl
• InChI: InChI=1S/C10H12FN.ClH/c11-9-5-3-8(4-6-9)10(12)7-1-2-7;/h3-7,10H,1-2,12H2;1H/t10-;/m1./s1
• InChIKey: JEDQGNZWUCZQQJ-HNCPQSOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (R)-cyclopropyl(4-fluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (R)-cyclopropyl(4-fluorophenyl)methanamine hydrochloride
• Synonyms: (R)-alpha-Cyclopropyl-4-fluorobenzylamine hydrochloride; (R)-Cyclopropyl(4-fluorophenyl)methylamine hydrochloride

Database IDs

• PubChem SID: 162105027
• PubChem CID: 51051670

CALCULATED PROPERTIES

• Log P: 2.0820606
• Molar Refractivity: 46.36 cm^3
• Polarizability: 18.134977 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.92506915
• LogD (pH = 7.4): -0.18194906

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon