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

• ChemBase ID: 260207
• Molecular Formular: C9H12ClF2N
• Molecular Mass: 207.6480864
• Monoisotopic Mass: 207.06263351
• SMILES: c1(c(F)cccc1F)CC(N)C.Cl
• Canonical SMILES: CC(Cc1c(F)cccc1F)N.Cl
• InChI: InChI=1S/C9H11F2N.ClH/c1-6(12)5-7-8(10)3-2-4-9(7)11;/h2-4,6H,5,12H2,1H3;1H
• InChIKey: MDIBMDIWHFUNPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12197144
• PubChem SID: 164316117
• PubChem CID: 45791521

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9184707
• LogD (pH = 7.4): -0.18873337
• Log P: 2.0896544
• Molar Refractivity: 44.138 cm^3
• Polarizability: 16.65374 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 158 - 160°C
• Hydrophobicity(logP): 2.028

Product Information

• Purity: 95%