N-{[3-(2-fluorophenyl)phenyl]methyl}-N-methyloxan-4-amine

• ChemBase ID: 682257
• Molecular Formular: C19H22FNO
• Molecular Mass: 299.3824832
• Monoisotopic Mass: 299.16854255
• SMILES: c1(c2c(F)cccc2)cc(CN(C2CCOCC2)C)ccc1
• Canonical SMILES: CN(C1CCOCC1)Cc1cccc(c1)c1ccccc1F
• InChI: InChI=1S/C19H22FNO/c1-21(17-9-11-22-12-10-17)14-15-5-4-6-16(13-15)18-7-2-3-8-19(18)20/h2-8,13,17H,9-12,14H2,1H3
• InChIKey: KIAIHDWJYLKSEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-fluorophenyl)phenyl]methyl}-N-methyloxan-4-amine
• IUPAC Traditional name: N-{[3-(2-fluorophenyl)phenyl]methyl}-N-methyloxan-4-amine
• Synonyms: N-[(2'-fluoro-3-biphenylyl)methyl]-N-methyltetrahydro-2H-pyran-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.24207805
• LogD (pH = 7.4): 1.3815918
• Log P: 3.665756
• Molar Refractivity: 88.4288 cm^3
• Polarizability: 35.33731 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.64
• LOG S: -3.48
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4