(3,3-diphenylpropyl)(1-phenylethyl)amine

• ChemBase ID: 130425
• Molecular Formular: C23H25N
• Molecular Mass: 315.4513
• Monoisotopic Mass: 315.19869981
• SMILES: CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
• InChIKey: NMKSAYKQLCHXDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-diphenylpropyl)(1-phenylethyl)amine
• IUPAC Traditional name: sensit
• Synonyms: Fendiline

Database IDs

• CAS Number: 13042-18-7
• PubChem SID: 162224704
• PubChem CID: 3336
• ATC CODE: C08EA01
• KEGG ID: D07185
• Unique Ingredient Identifier: S253D559A8
• Wikipedia Title: Fendiline

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6046262
• LogD (pH = 7.4): 3.2592113
• Log P: 5.826696
• Molar Refractivity: 102.337 cm^3
• Polarizability: 40.34799 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false