cyclopropyl(2,4-difluorophenyl)methanamine hydrochloride

• ChemBase ID: 284250
• Molecular Formular: C10H12ClF2N
• Molecular Mass: 219.6587864
• Monoisotopic Mass: 219.06263351
• SMILES: c1(c(cc(cc1)F)F)C(C1CC1)N.Cl
• Canonical SMILES: Fc1ccc(c(c1)F)C(C1CC1)N.Cl
• InChI: InChI=1S/C10H11F2N.ClH/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6;/h3-6,10H,1-2,13H2;1H
• InChIKey: MAZJOGNMEIGXJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(2,4-difluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: cyclopropyl(2,4-difluorophenyl)methanamine hydrochloride
• Synonyms: cyclopropyl(2,4-difluorophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD20502108
• PubChem SID: 180669781
• PubChem CID: 54595918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.73889536
• LogD (pH = 7.4): 0.35614288
• Log P: 2.2247624
• Molar Refractivity: 46.5764 cm^3
• Polarizability: 17.836773 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 222 - 224°C
• Hydrophobicity(logP): 2.133

Product Information

• Purity: 95%