4-[1-(3-phenylbutyl)azetidin-3-yl]morpholine

• ChemBase ID: 822545
• Molecular Formular: C17H26N2O
• Molecular Mass: 274.40114
• Monoisotopic Mass: 274.20451346
• SMILES: C1(N2CCOCC2)CN(C1)CCC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)CCN1CC(C1)N1CCOCC1
• InChI: InChI=1S/C17H26N2O/c1-15(16-5-3-2-4-6-16)7-8-18-13-17(14-18)19-9-11-20-12-10-19/h2-6,15,17H,7-14H2,1H3
• InChIKey: DFTHUBVINZSGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(3-phenylbutyl)azetidin-3-yl]morpholine
• IUPAC Traditional name: 4-[1-(3-phenylbutyl)azetidin-3-yl]morpholine
• Synonyms: 4-[1-(3-phenylbutyl)azetidin-3-yl]morpholine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -1.49
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0
• Log P: 1.52

JChem

• Molar Refractivity: 83.3001 cm^3
• Polarizability: 32.820583 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1541747
• LogD (pH = 7.4): 1.6125616
• Log P: 2.6232777