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

• ChemBase ID: 816878
• Molecular Formular: C16H23F2NO3
• Molecular Mass: 315.3555264
• Monoisotopic Mass: 315.16460004
• SMILES: c1(c(c(ccc1F)OC)F)CN(CC1OCCC1)CCOC
• Canonical SMILES: COCCN(Cc1c(F)ccc(c1F)OC)CC1CCCO1
• InChI: InChI=1S/C16H23F2NO3/c1-20-9-7-19(10-12-4-3-8-22-12)11-13-14(17)5-6-15(21-2)16(13)18/h5-6,12H,3-4,7-11H2,1-2H3
• InChIKey: RIYBVSIXQJOLKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4941944
• LogD (pH = 7.4): 2.375653
• Log P: 2.4139888
• Molar Refractivity: 80.7949 cm^3
• Polarizability: 31.000029 Å^3
• Polar Surface Area: 30.93 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: 1.31
• LOG S: -1.61
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 8