[2-amino-1-(3-methylphenyl)ethyl]dimethylamine

• ChemBase ID: 308154
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: c1(C(N(C)C)CN)cc(ccc1)C
• Canonical SMILES: NCC(c1cccc(c1)C)N(C)C
• InChI: InChI=1S/C11H18N2/c1-9-5-4-6-10(7-9)11(8-12)13(2)3/h4-7,11H,8,12H2,1-3H3
• InChIKey: WKDGNJWVKPLJCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-amino-1-(3-methylphenyl)ethyl]dimethylamine
• IUPAC Traditional name: [2-amino-1-(3-methylphenyl)ethyl]dimethylamine
• Synonyms: N~1~,N~1~-dimethyl-1-(3-methylphenyl)-1,2-ethanediamine

Database IDs

• CAS Number: 928000-34-4
• MDL Number: MFCD09259783

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4733675
• LogD (pH = 7.4): -0.19277637
• Log P: 1.6908473
• Molar Refractivity: 57.2619 cm^3
• Polarizability: 22.56839 Å^3
• Polar Surface Area: 29.26 Å^2