9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane

• ChemBase ID: 125855
• Molecular Formular: C16H23NO
• Molecular Mass: 245.35992
• Monoisotopic Mass: 245.17796436
• SMILES: O(C1(c2ccccc2)C2CCCC1CN(C2)C)C
• Canonical SMILES: COC1(C2CCCC1CN(C2)C)c1ccccc1
• InChI: InChI=1S/C16H23NO/c1-17-11-14-9-6-10-15(12-17)16(14,18-2)13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3
• InChIKey: YFFNPIAPUDUYAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
• IUPAC Traditional name: 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
• Synonyms: Anazocine

Database IDs

• CAS Number: 15378-99-1
• PubChem SID: 162220200
• PubChem CID: 27213
• Chemspider ID: 25327
• Wikipedia Title: Anazocine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.65183485
• LogD (pH = 7.4): 0.61507183
• Log P: 2.7390873
• Molar Refractivity: 74.5974 cm^3
• Polarizability: 29.52685 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true