(3,3-diphenylpropyl)bis[(2H7)propan-2-yl]amine

• ChemBase ID: 167486
• Molecular Formular: C21H29N
• Molecular Mass: 295.46166
• Monoisotopic Mass: 295.22999993
• SMILES: c1(C(CCN(C(C)C)C(C)C)c2ccccc2)ccccc1
• Canonical SMILES: CC(N(C(C)C)CCC(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3
• InChIKey: YBJKOPHEJOMRMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-diphenylpropyl)bis[(^2H₇)propan-2-yl]amine
• IUPAC Traditional name: (3,3-diphenylpropyl)bis(^2H₇)propan-2-ylamine
• Synonyms: N,N-Bis(1-methylethyl-d7)-γ-phenylbenzenepropanamine; N,N-(Diisopropyl-d14)-3,3-diphenylpropylamine; Cholagol-d14; Dispromine-d14; Do-Bil-d14; Hepabyl-d14; Hepacol-d14; Megabyl-d14; R 253-d14; Diisopromine-d14

Database IDs

• PubChem SID: 162261619
• PubChem CID: 71316110

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1218717
• LogD (pH = 7.4): 2.5013773
• Log P: 5.6154613
• Molar Refractivity: 96.9351 cm^3
• Polarizability: 38.090836 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - D446542

Labelled Diisopromine (D446540). Spasmolitic; choleretic.

REFERENCES

• Harsanyi, K., et al.: J. Med. Chem., 7, 623 (1964)
• Weyhenmeyer, R., et al.: Arzneim.-Forsch., 37, 58 (1964)