(4,4-diphenylheptan-2-yl)dimethylamine

• ChemBase ID: 128298
• Molecular Formular: C21H29N
• Molecular Mass: 295.46166
• Monoisotopic Mass: 295.22999993
• SMILES: CN(C(CC(CCC)(c1ccccc1)c1ccccc1)C)C
• Canonical SMILES: CCCC(c1ccccc1)(c1ccccc1)CC(N(C)C)C
• InChI: InChI=1S/C21H29N/c1-5-16-21(17-18(2)22(3)4,19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-15,18H,5,16-17H2,1-4H3
• InChIKey: MCFVCWVAZLRHPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,4-diphenylheptan-2-yl)dimethylamine
• IUPAC Traditional name: (4,4-diphenylheptan-2-yl)dimethylamine
• Synonyms: Methade

Database IDs

• PubChem SID: 162222606
• PubChem CID: 71308237
• Wikipedia Title: Methade

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.226492
• LogD (pH = 7.4): 3.228649
• Log P: 5.674455
• Molar Refractivity: 107.1906 cm^3
• Polarizability: 38.08881 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false