[(3,4-difluorophenyl)methyl](methyl)amine

• ChemBase ID: 254674
• Molecular Formular: C8H9F2N
• Molecular Mass: 157.1605664
• Monoisotopic Mass: 157.07030573
• SMILES: c1(c(ccc(c1)CNC)F)F
• Canonical SMILES: CNCc1ccc(c(c1)F)F
• InChI: InChI=1S/C8H9F2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
• InChIKey: MMNUIVWEFIBTRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-difluorophenyl)methyl](methyl)amine
• IUPAC Traditional name: [(3,4-difluorophenyl)methyl](methyl)amine
• Synonyms: N-(3,4-difluorobenzyl)-N-methylamine

Database IDs

• CAS Number: 748124-46-1
• MDL Number: MFCD09043718
• PubChem SID: 164310584
• PubChem CID: 16771422

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3003248
• LogD (pH = 7.4): 0.006820342
• Log P: 1.8169985
• Molar Refractivity: 39.7388 cm^3
• Polarizability: 14.893473 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.726

Product Information

• Purity: 95%