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

• ChemBase ID: 312322
• Molecular Formular: C12H20N2
• Molecular Mass: 192.3006
• Monoisotopic Mass: 192.16264865
• SMILES: c1(c(C)cccc1)CNCCN(C)C
• Canonical SMILES: CN(CCNCc1ccccc1C)C
• InChI: InChI=1S/C12H20N2/c1-11-6-4-5-7-12(11)10-13-8-9-14(2)3/h4-7,13H,8-10H2,1-3H3
• InChIKey: XGGPXLVNGIFSDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 892565-10-5
• MDL Number: MFCD07408022

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2083497
• LogD (pH = 7.4): -0.05965835
• Log P: 2.0636606
• Molar Refractivity: 62.3663 cm^3
• Polarizability: 24.416386 Å^3
• Polar Surface Area: 15.27 Å^2