tert-butyl(4,4-diphenylbutan-2-yl)amine

• ChemBase ID: 130397
• Molecular Formular: C20H27N
• Molecular Mass: 281.43508
• Monoisotopic Mass: 281.21434987
• SMILES: c1ccccc1C(c1ccccc1)CC(NC(C)(C)C)C
• Canonical SMILES: CC(NC(C)(C)C)CC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3
• InChIKey: UISARWKNNNHPGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(4,4-diphenylbutan-2-yl)amine
• IUPAC Traditional name: terodiline
• Synonyms: Terodiline

Database IDs

• PubChem SID: 162224676
• PubChem CID: 23480
• ATC CODE: G04BD05
• CHEMBL: 363295
• Chemspider ID: 21952
• Unique Ingredient Identifier: 70KG06964W
• Wikipedia Title: Terodiline

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9199173
• LogD (pH = 7.4): 2.227871
• Log P: 5.1561823
• Molar Refractivity: 91.53 cm^3
• Polarizability: 36.24393 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false