{1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine hydrochloride

• ChemBase ID: 121393
• Molecular Formular: C17H27Cl2N
• Molecular Mass: 316.30898
• Monoisotopic Mass: 315.15205523
• SMILES: C1(C(N(C)C)CC(C)C)(c2ccc(cc2)Cl)CCC1.Cl
• Canonical SMILES: CC(CC(C1(CCC1)c1ccc(cc1)Cl)N(C)C)C.Cl
• InChI: InChI=1S/C17H26ClN.ClH/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;/h6-9,13,16H,5,10-12H2,1-4H3;1H
• InChIKey: UWAOJIWUVCMBAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutyl}dimethylamine hydrochloride
• IUPAC Traditional name: sibutramine hydrochloride
• Synonyms: 1-(1-(4-chlorophenyl)cyclobutyl)-N,N,3-trimethylbutan-1-amine hydrochloride

Database IDs

• PubChem SID: 162215746
• PubChem CID: 64764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7681136
• LogD (pH = 7.4): 2.8568501
• Log P: 5.20185
• Molar Refractivity: 83.9214 cm^3
• Polarizability: 33.18467 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Salt Data: HCl