N-{8-azabicyclo[3.2.1]octan-3-yl}-N-methylbenzamide hydrochloride

• ChemBase ID: 247555
• Molecular Formular: C15H21ClN2O
• Molecular Mass: 280.79304
• Monoisotopic Mass: 280.13424098
• SMILES: C(=O)(N(C1CC2NC(C1)CC2)C)c1ccccc1.Cl
• Canonical SMILES: CN(C(=O)c1ccccc1)C1CC2CCC(C1)N2.Cl
• InChI: InChI=1S/C15H20N2O.ClH/c1-17(15(18)11-5-3-2-4-6-11)14-9-12-7-8-13(10-14)16-12;/h2-6,12-14,16H,7-10H2,1H3;1H
• InChIKey: RLGJRBICBSKFPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{8-azabicyclo[3.2.1]octan-3-yl}-N-methylbenzamide hydrochloride
• IUPAC Traditional name: N-{8-azabicyclo[3.2.1]octan-3-yl}-N-methylbenzamide hydrochloride
• Synonyms: N-{8-azabicyclo[3.2.1]octan-3-yl}-N-methylbenzamide hydrochloride

Database IDs

• PubChem SID: 164303465
• PubChem CID: 71758248

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7994099
• LogD (pH = 7.4): -1.6497147
• Log P: 1.440328
• Molar Refractivity: 71.9676 cm^3
• Polarizability: 27.963558 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245 - 247°C
• Hydrophobicity(logP): 0.533

Product Information

• Purity: 95%