[(3,4-dichlorophenyl)methyl][2-(diethylamino)ethyl]amine

• ChemBase ID: 264594
• Molecular Formular: C13H20Cl2N2
• Molecular Mass: 275.2173
• Monoisotopic Mass: 274.10035401
• SMILES: c1(c(ccc(c1)CNCCN(CC)CC)Cl)Cl
• Canonical SMILES: CCN(CCNCc1ccc(c(c1)Cl)Cl)CC
• InChI: InChI=1S/C13H20Cl2N2/c1-3-17(4-2)8-7-16-10-11-5-6-12(14)13(15)9-11/h5-6,9,16H,3-4,7-8,10H2,1-2H3
• InChIKey: NNLSWOKOLBTIRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07408038
• PubChem SID: 164320504
• PubChem CID: 4719880

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.011701488
• LogD (pH = 7.4): 1.4469385
• Log P: 3.4719443
• Molar Refractivity: 76.4319 cm^3
• Polarizability: 30.023794 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.254

Product Information

• Purity: 95%