[(4-fluorophenyl)methyl][(6-methoxypyridin-3-yl)methyl](oxolan-2-ylmethyl)amine

• ChemBase ID: 701513
• Molecular Formular: C19H23FN2O2
• Molecular Mass: 330.3965232
• Monoisotopic Mass: 330.17435621
• SMILES: N(Cc1cnc(cc1)OC)(Cc1ccc(F)cc1)CC1OCCC1
• Canonical SMILES: COc1ccc(cn1)CN(Cc1ccc(cc1)F)CC1CCCO1
• InChI: InChI=1S/C19H23FN2O2/c1-23-19-9-6-16(11-21-19)13-22(14-18-3-2-10-24-18)12-15-4-7-17(20)8-5-15/h4-9,11,18H,2-3,10,12-14H2,1H3
• InChIKey: NRKIZKKWZRICOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl][(6-methoxypyridin-3-yl)methyl](oxolan-2-ylmethyl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl][(6-methoxypyridin-3-yl)methyl](oxolan-2-ylmethyl)amine
• Synonyms: (4-fluorobenzyl)[(6-methoxypyridin-3-yl)methyl](tetrahydrofuran-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2933614
• LogD (pH = 7.4): 2.9813454
• Log P: 3.4195206
• Molar Refractivity: 92.3042 cm^3
• Polarizability: 35.5724 Å^3
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.84
• LOG S: -3.88
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 7