2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine hydrochloride

• ChemBase ID: 279099
• Molecular Formular: C10H12ClF2N
• Molecular Mass: 219.6587864
• Monoisotopic Mass: 219.06263351
• SMILES: C1(CC1N)(c1c(F)cccc1F)C.Cl
• Canonical SMILES: NC1CC1(C)c1c(F)cccc1F.Cl
• InChI: InChI=1S/C10H11F2N.ClH/c1-10(5-8(10)13)9-6(11)3-2-4-7(9)12;/h2-4,8H,5,13H2,1H3;1H
• InChIKey: NNJLVGLKXHCWLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine hydrochloride
• Synonyms: 2-(2,6-difluorophenyl)-2-methylcyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233592
• PubChem SID: 164335009
• PubChem CID: 54595138

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.91573876
• LogD (pH = 7.4): 0.3597978
• Log P: 2.0022871
• Molar Refractivity: 46.5275 cm^3
• Polarizability: 17.768082 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 2.283

Product Information

• Purity: 95%