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

• ChemBase ID: 662264
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: N1(CC(N2CCOCC2)C1)Cc1cc(Oc2ccccc2)ccc1
• Canonical SMILES: O1CCN(CC1)C1CN(C1)Cc1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C20H24N2O2/c1-2-6-19(7-3-1)24-20-8-4-5-17(13-20)14-21-15-18(16-21)22-9-11-23-12-10-22/h1-8,13,18H,9-12,14-16H2
• InChIKey: QFZWQABHWOSDHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3490155
• LogD (pH = 7.4): 2.8691144
• Log P: 3.103316
• Molar Refractivity: 95.6363 cm^3
• Polarizability: 37.691315 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.19
• LOG S: -2.43
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 5