4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine

• ChemBase ID: 782674
• Molecular Formular: C15H22FNO3
• Molecular Mass: 283.3384832
• Monoisotopic Mass: 283.15837179
• SMILES: c1(c(cc(c(c1)OC)OC)F)CN1CC(OCC1)(C)C
• Canonical SMILES: COc1cc(CN2CCOC(C2)(C)C)c(cc1OC)F
• InChI: InChI=1S/C15H22FNO3/c1-15(2)10-17(5-6-20-15)9-11-7-13(18-3)14(19-4)8-12(11)16/h7-8H,5-6,9-10H2,1-4H3
• InChIKey: LSCBDGIPZLHQTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
• IUPAC Traditional name: 4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
• Synonyms: 4-(2-fluoro-4,5-dimethoxybenzyl)-2,2-dimethylmorpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6230668
• LogD (pH = 7.4): 2.2047546
• Log P: 2.2206533
• Molar Refractivity: 75.875 cm^3
• Polarizability: 29.42166 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.12
• LOG S: -2.07
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 4