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

• ChemBase ID: 696162
• Molecular Formular: C19H22FNO2
• Molecular Mass: 315.3818832
• Monoisotopic Mass: 315.16345717
• SMILES: N1(Cc2c(cc(cc2)OC)F)CC(OCC1)Cc1ccccc1
• Canonical SMILES: COc1ccc(c(c1)F)CN1CCOC(C1)Cc1ccccc1
• InChI: InChI=1S/C19H22FNO2/c1-22-17-8-7-16(19(20)12-17)13-21-9-10-23-18(14-21)11-15-5-3-2-4-6-15/h2-8,12,18H,9-11,13-14H2,1H3
• InChIKey: VXDWAOVMOUGLSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8839123
• LogD (pH = 7.4): 3.7202756
• Log P: 3.754074
• Molar Refractivity: 89.3926 cm^3
• Polarizability: 34.545788 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.18
• LOG S: -2.95
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4