[(2,4-difluorophenyl)methyl](methyl)amine

• ChemBase ID: 254178
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: c1(c(ccc(c1)F)CNC)F
• Canonical SMILES: CNCc1ccc(cc1F)F
• InChI: InChI=1S/C8H9F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3
• InChIKey: QRNJBUWQFRAFGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,4-difluorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(2,4-difluorophenyl)methyl](methyl)amine
• Synonyms: N-(2,4-difluorobenzyl)-N-methylamine

Database IDs

• CAS Number: 696589-32-9
• MDL Number: MFCD09047006
• PubChem SID: 164310088
• PubChem CID: 16774610

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1093996
• LogD (pH = 7.4): 0.48864976
• Log P: 1.8169985
• Molar Refractivity: 39.7388 cm^3
• Polarizability: 14.895406 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.796

Product Information

• Purity: 95%