[(2,3-difluoro-6-methoxyphenyl)methyl](oxolan-2-ylmethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 856982
• Molecular Formular: C19H22F2N2O2
• Molecular Mass: 348.3869864
• Monoisotopic Mass: 348.16493439
• SMILES: c1(c(c(ccc1OC)F)F)CN(Cc1ccncc1)CC1OCCC1
• Canonical SMILES: COc1ccc(c(c1CN(Cc1ccncc1)CC1CCCO1)F)F
• InChI: InChI=1S/C19H22F2N2O2/c1-24-18-5-4-17(20)19(21)16(18)13-23(12-15-3-2-10-25-15)11-14-6-8-22-9-7-14/h4-9,15H,2-3,10-13H2,1H3
• InChIKey: TUHRCIPSQVIGJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-difluoro-6-methoxyphenyl)methyl](oxolan-2-ylmethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(2,3-difluoro-6-methoxyphenyl)methyl](oxolan-2-ylmethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (2,3-difluoro-6-methoxybenzyl)(pyridin-4-ylmethyl)(tetrahydrofuran-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1988535
• LogD (pH = 7.4): 2.9419656
• Log P: 2.9677649
• Molar Refractivity: 92.2071 cm^3
• Polarizability: 35.261707 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: 2.52
• LOG S: -1.58
• Polar Surface Area: 34.59 Å^2
• Rotatable Bonds: 7