[(2-fluorophenyl)methyl](2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl]amine

• ChemBase ID: 722700
• Molecular Formular: C17H21FN2O2
• Molecular Mass: 304.3592432
• Monoisotopic Mass: 304.15870614
• SMILES: c1(CN(Cc2cnc(cc2)OC)CCOC)c(F)cccc1
• Canonical SMILES: COCCN(Cc1ccccc1F)Cc1ccc(nc1)OC
• InChI: InChI=1S/C17H21FN2O2/c1-21-10-9-20(13-15-5-3-4-6-16(15)18)12-14-7-8-17(22-2)19-11-14/h3-8,11H,9-10,12-13H2,1-2H3
• InChIKey: DHLVMVWQSMPAPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-fluorophenyl)methyl](2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl]amine
• IUPAC Traditional name: [(2-fluorophenyl)methyl](2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl]amine
• Synonyms: (2-fluorobenzyl)(2-methoxyethyl)[(6-methoxypyridin-3-yl)methyl]amine

CALCULATED PROPERTIES

JChem

• Polarizability: 32.618683 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5784276
• LogD (pH = 7.4): 2.8439221
• Log P: 2.953956
• Molar Refractivity: 85.093 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 8
• H Acceptors: 4
• H Donor: 0
• Log P: 3.26
• LOG S: -3.2