dimethyl[3-(4-methylphenyl)-3-phenylpropyl]amine

• ChemBase ID: 129944
• Molecular Formular: C18H23N
• Molecular Mass: 253.38192
• Monoisotopic Mass: 253.18304974
• SMILES: c1cc(ccc1C(c1ccccc1)CCN(C)C)C
• Canonical SMILES: CN(CCC(c1ccccc1)c1ccc(cc1)C)C
• InChI: InChI=1S/C18H23N/c1-15-9-11-17(12-10-15)18(13-14-19(2)3)16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3
• InChIKey: CINROOONPHQHPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-(4-methylphenyl)-3-phenylpropyl]amine
• IUPAC Traditional name: pragman
• Synonyms: Tolpropamine

Database IDs

• CAS Number: 5632-44-0
• PubChem SID: 162224230
• PubChem CID: 72141
• ATC CODE: D04AA12
• Chemspider ID: 65115
• KEGG ID: D07196
• Unique Ingredient Identifier: TBZ8909KFS
• Wikipedia Title: Tolpropamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1693971
• LogD (pH = 7.4): 2.3570168
• Log P: 4.582117
• Molar Refractivity: 83.6415 cm^3
• Polarizability: 32.46733 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true