5-[4-(2-methoxyethyl)phenoxy]-1-azabicyclo[3.2.1]octane

• ChemBase ID: 550325
• Molecular Formular: C16H23NO2
• Molecular Mass: 261.35932
• Monoisotopic Mass: 261.17287898
• SMILES: C12(Oc3ccc(cc3)CCOC)CN(CC1)CCC2
• Canonical SMILES: COCCc1ccc(cc1)OC12CCCN(C2)CC1
• InChI: InChI=1S/C16H23NO2/c1-18-12-7-14-3-5-15(6-4-14)19-16-8-2-10-17(13-16)11-9-16/h3-6H,2,7-13H2,1H3
• InChIKey: VVLDBUFGWKDQCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[4-(2-methoxyethyl)phenoxy]-1-azabicyclo[3.2.1]octane
• IUPAC Traditional name: 5-[4-(2-methoxyethyl)phenoxy]-1-azabicyclo[3.2.1]octane
• Synonyms: 5-[4-(2-methoxyethyl)phenoxy]-1-azabicyclo[3.2.1]octane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1584797
• LogD (pH = 7.4): -0.07613304
• Log P: 2.2764251
• Molar Refractivity: 76.8596 cm^3
• Polarizability: 30.104492 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: 2.4
• LOG S: -2.15
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5