{[2-(difluoromethoxy)phenyl]methyl}(oxolan-2-ylmethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 819618
• Molecular Formular: C19H22F2N2O2
• Molecular Mass: 348.3869864
• Monoisotopic Mass: 348.16493439
• SMILES: c1(c(OC(F)F)cccc1)CN(Cc1ccncc1)CC1OCCC1
• Canonical SMILES: FC(Oc1ccccc1CN(Cc1ccncc1)CC1CCCO1)F
• InChI: InChI=1S/C19H22F2N2O2/c20-19(21)25-18-6-2-1-4-16(18)13-23(14-17-5-3-11-24-17)12-15-7-9-22-10-8-15/h1-2,4,6-10,17,19H,3,5,11-14H2
• InChIKey: YLNZHXREXDRGQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(difluoromethoxy)phenyl]methyl}(oxolan-2-ylmethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: {[2-(difluoromethoxy)phenyl]methyl}(oxolan-2-ylmethyl)(pyridin-4-ylmethyl)amine
• Synonyms: 1-[2-(difluoromethoxy)phenyl]-N-(pyridin-4-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7652858
• LogD (pH = 7.4): 3.334335
• Log P: 3.6091192
• Molar Refractivity: 91.7832 cm^3
• Polarizability: 35.33016 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.56
• LOG S: -1.62
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 8