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

• ChemBase ID: 312537
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: N(CCNCc1ccc(cc1)C)(C)C
• Canonical SMILES: CN(CCNCc1ccc(cc1)C)C
• InChI: InChI=1S/C12H20N2/c1-11-4-6-12(7-5-11)10-13-8-9-14(2)3/h4-7,13H,8-10H2,1-3H3
• InChIKey: HOBWUMPLORYSJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethylamino)ethyl][(4-methylphenyl)methyl]amine
• IUPAC Traditional name: [2-(dimethylamino)ethyl][(4-methylphenyl)methyl]amine
• Synonyms: N,N-dimethyl-N'-(4-methylbenzyl)-1,2-ethanediamine

Database IDs

• CAS Number: 65875-43-6
• MDL Number: MFCD06011674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1917877
• LogD (pH = 7.4): -0.04315616
• Log P: 2.0636606
• Molar Refractivity: 62.3663 cm^3
• Polarizability: 24.416113 Å^3
• Polar Surface Area: 15.27 Å^2