4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine

• ChemBase ID: 708328
• Molecular Formular: C15H22FNO3
• Molecular Mass: 283.3384832
• Monoisotopic Mass: 283.15837179
• SMILES: N1(Cc2c(cc(cc2)OC)F)CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1ccc(cc1F)OC
• InChI: InChI=1S/C15H22FNO3/c1-18-7-5-14-11-17(6-8-20-14)10-12-3-4-13(19-2)9-15(12)16/h3-4,9,14H,5-8,10-11H2,1-2H3
• InChIKey: PQAUKWMHVAFANM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
• IUPAC Traditional name: 4-[(2-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxyethyl)morpholine
• Synonyms: 4-(2-fluoro-4-methoxybenzyl)-2-(2-methoxyethyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0844817
• LogD (pH = 7.4): 1.7342793
• Log P: 1.7539241
• Molar Refractivity: 75.9339 cm^3
• Polarizability: 29.436203 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.32
• LOG S: -1.39
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 6