(3-{2-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)dimethylamine

• ChemBase ID: 126908
• Molecular Formular: C19H22N2
• Molecular Mass: 278.39138
• Monoisotopic Mass: 278.17829871
• SMILES: c1cc2c(C=Cc3c(cccc3)N2CCCN(C)C)cc1
• Canonical SMILES: CN(CCCN1c2ccccc2C=Cc2c1cccc2)C
• InChI: InChI=1S/C19H22N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-13H,7,14-15H2,1-2H3
• InChIKey: AFBYHZACPPSJKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-azatricyclo[9.4.0.0^3,^8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-yl}propyl)dimethylamine
• IUPAC Traditional name: depramine
• Synonyms: Depramine

Database IDs

• CAS Number: 303-54-8
• PubChem SID: 162221234
• PubChem CID: 67534
• Chemspider ID: 60856
• Unique Ingredient Identifier: 77C3T28736
• Wikipedia Title: Depramine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.794723
• LogD (pH = 7.4): 2.2866879
• Log P: 4.082047
• Molar Refractivity: 91.7222 cm^3
• Polarizability: 34.755604 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true