4-{1-[(5-ethylfuran-2-yl)methyl]azetidin-3-yl}morpholine

• ChemBase ID: 728448
• Molecular Formular: C14H22N2O2
• Molecular Mass: 250.33668
• Monoisotopic Mass: 250.16812795
• SMILES: N1(CC(N2CCOCC2)C1)Cc1oc(cc1)CC
• Canonical SMILES: CCc1ccc(o1)CN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C14H22N2O2/c1-2-13-3-4-14(18-13)11-15-9-12(10-15)16-5-7-17-8-6-16/h3-4,12H,2,5-11H2,1H3
• InChIKey: RVRWJOHSZVEGJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[(5-ethylfuran-2-yl)methyl]azetidin-3-yl}morpholine
• IUPAC Traditional name: 4-{1-[(5-ethylfuran-2-yl)methyl]azetidin-3-yl}morpholine
• Synonyms: 4-{1-[(5-ethyl-2-furyl)methyl]azetidin-3-yl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.2781289
• LogD (pH = 7.4): 1.1879272
• Log P: 1.3853592
• Molar Refractivity: 71.4601 cm^3
• Polarizability: 27.815004 Å^3
• Polar Surface Area: 28.85 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: 0.35
• LOG S: -0.32
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 4