[(4-chlorophenyl)methyl][2-(dimethylamino)ethyl]amine

• ChemBase ID: 265238
• Molecular Formular: C11H17ClN2
• Molecular Mass: 212.71908
• Monoisotopic Mass: 212.10802623
• SMILES: c1(Cl)ccc(cc1)CNCCN(C)C
• Canonical SMILES: CN(CCNCc1ccc(cc1)Cl)C
• InChI: InChI=1S/C11H17ClN2/c1-14(2)8-7-13-9-10-3-5-11(12)6-4-10/h3-6,13H,7-9H2,1-2H3
• InChIKey: SMWIUHREBRXUMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-chlorophenyl)methyl][2-(dimethylamino)ethyl]amine
• IUPAC Traditional name: [(4-chlorophenyl)methyl][2-(dimethylamino)ethyl]amine
• Synonyms: [(4-chlorophenyl)methyl][2-(dimethylamino)ethyl]amine

Database IDs

• MDL Number: MFCD06011678
• PubChem SID: 164321148
• PubChem CID: 3452339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0637653
• LogD (pH = 7.4): 0.18985048
• Log P: 2.1542838
• Molar Refractivity: 62.1299 cm^3
• Polarizability: 24.45261 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.603

Product Information

• Purity: 95%