[(2-fluorophenyl)methyl](2-methoxyethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 472461
• Molecular Formular: C16H19FN2O
• Molecular Mass: 274.3332632
• Monoisotopic Mass: 274.14814146
• SMILES: c1(CN(Cc2ccncc2)CCOC)c(F)cccc1
• Canonical SMILES: COCCN(Cc1ccccc1F)Cc1ccncc1
• InChI: InChI=1S/C16H19FN2O/c1-20-11-10-19(12-14-6-8-18-9-7-14)13-15-4-2-3-5-16(15)17/h2-9H,10-13H2,1H3
• InChIKey: QWVSFNFKKPZYCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](2-methoxyethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl](2-methoxyethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (2-fluorobenzyl)(2-methoxyethyl)(pyridin-4-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9910698
• LogD (pH = 7.4): 2.3669555
• Log P: 2.5171697
• Molar Refractivity: 78.3163 cm^3
• Polarizability: 30.090921 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -0.98
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7