(2-{1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl}ethyl)(benzyl)methylamine

• ChemBase ID: 126003
• Molecular Formular: C26H26N2
• Molecular Mass: 366.49804
• Monoisotopic Mass: 366.20959884
• SMILES: c12ccccc1n1c3c(cccc3cc1CCN(Cc1ccccc1)C)CC2
• Canonical SMILES: CN(Cc1ccccc1)CCc1cc2c3n1c1ccccc1CCc3ccc2
• InChI: InChI=1S/C26H26N2/c1-27(19-20-8-3-2-4-9-20)17-16-24-18-23-12-7-11-22-15-14-21-10-5-6-13-25(21)28(24)26(22)23/h2-13,18H,14-17,19H2,1H3
• InChIKey: GMJAPDJBIOQXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-{1-azatetracyclo[8.6.1.0^2,^7.0^1^4,^1^7]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl}ethyl)(benzyl)methylamine
• IUPAC Traditional name: azipramine
• Synonyms: Azipramine

Database IDs

• CAS Number: 58503-82-5
• PubChem SID: 162220346
• PubChem CID: 65468
• Chemspider ID: 58920
• Unique Ingredient Identifier: 1P9L1B4UIC
• Wikipedia Title: Azipramine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0364852
• LogD (pH = 7.4): 3.6269283
• Log P: 5.5666
• Molar Refractivity: 128.3165 cm^3
• Polarizability: 47.261875 Å^3
• Polar Surface Area: 8.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false