4-{1-[(4-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl}morpholine

• ChemBase ID: 676779
• Molecular Formular: C15H21FN2O2
• Molecular Mass: 280.3378432
• Monoisotopic Mass: 280.15870614
• SMILES: N1(CC(N2CCOCC2)C1)Cc1cc(c(cc1)F)OC
• Canonical SMILES: COc1cc(ccc1F)CN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C15H21FN2O2/c1-19-15-8-12(2-3-14(15)16)9-17-10-13(11-17)18-4-6-20-7-5-18/h2-3,8,13H,4-7,9-11H2,1H3
• InChIKey: NFORBDMJNTVFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(4-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl}morpholine
• IUPAC Traditional name: 4-{1-[(4-fluoro-3-methoxyphenyl)methyl]azetidin-3-yl}morpholine
• Synonyms: 4-[1-(4-fluoro-3-methoxybenzyl)azetidin-3-yl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.21301484
• LogD (pH = 7.4): 1.4781427
• Log P: 1.5880594
• Molar Refractivity: 76.0751 cm^3
• Polarizability: 29.528519 Å^3
• Polar Surface Area: 24.94 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: 0.11
• LOG S: -0.33
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 4