[(2,5-difluorophenyl)methyl](1-methoxypropan-2-yl)amine

• ChemBase ID: 310973
• Molecular Formular: C11H15F2NO
• Molecular Mass: 215.2397064
• Monoisotopic Mass: 215.11217055
• SMILES: c1(c(ccc(c1)F)F)CNC(COC)C
• Canonical SMILES: CC(NCc1cc(F)ccc1F)COC
• InChI: InChI=1S/C11H15F2NO/c1-8(7-15-2)14-6-9-5-10(12)3-4-11(9)13/h3-5,8,14H,6-7H2,1-2H3
• InChIKey: CDDZYXCZNKAXRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,5-difluorophenyl)methyl](1-methoxypropan-2-yl)amine
• IUPAC Traditional name: [(2,5-difluorophenyl)methyl](1-methoxypropan-2-yl)amine
• Synonyms: (2,5-difluorobenzyl)(2-methoxy-1-methylethyl)amine

Database IDs

• CAS Number: 355814-29-8
• MDL Number: MFCD01129767

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.4053559
• LogD (pH = 7.4): 1.3235089
• Log P: 2.186598
• Molar Refractivity: 55.2011 cm^3
• Polarizability: 21.114138 Å^3
• Polar Surface Area: 21.26 Å^2