[(3,4-dichlorophenyl)methyl][2-(dimethylamino)-2-methylpropyl]amine

• ChemBase ID: 263604
• Molecular Formular: C13H20Cl2N2
• Molecular Mass: 275.2173
• Monoisotopic Mass: 274.10035401
• SMILES: c1(c(ccc(c1)CNCC(N(C)C)(C)C)Cl)Cl
• Canonical SMILES: CN(C(CNCc1ccc(c(c1)Cl)Cl)(C)C)C
• InChI: InChI=1S/C13H20Cl2N2/c1-13(2,17(3)4)9-16-8-10-5-6-11(14)12(15)7-10/h5-7,16H,8-9H2,1-4H3
• InChIKey: SQFJTTVKYAOHQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-dichlorophenyl)methyl][2-(dimethylamino)-2-methylpropyl]amine
• IUPAC Traditional name: [(3,4-dichlorophenyl)methyl][2-(dimethylamino)-2-methylpropyl]amine
• Synonyms: [(3,4-dichlorophenyl)methyl][2-(dimethylamino)-2-methylpropyl]amine

Database IDs

• MDL Number: MFCD11159498
• PubChem SID: 164319514
• PubChem CID: 28651754

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.11437308
• LogD (pH = 7.4): 1.2546
• Log P: 3.45548
• Molar Refractivity: 75.9917 cm^3
• Polarizability: 30.023794 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.904

Product Information

• Purity: 95%