4-{[(2-methoxyethyl)amino]methyl}-N,N-dimethylaniline

• ChemBase ID: 122368
• Molecular Formular: C12H20N2O
• Molecular Mass: 208.3
• Monoisotopic Mass: 208.15756327
• SMILES: c1(N(C)C)ccc(cc1)CNCCOC
• Canonical SMILES: COCCNCc1ccc(cc1)N(C)C
• InChI: InChI=1S/C12H20N2O/c1-14(2)12-6-4-11(5-7-12)10-13-8-9-15-3/h4-7,13H,8-10H2,1-3H3
• InChIKey: NTEJVGOBQCWKHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[(2-methoxyethyl)amino]methyl}-N,N-dimethylaniline
• IUPAC Traditional name: 4-{[(2-methoxyethyl)amino]methyl}-N,N-dimethylaniline
• Synonyms: 4-(((2-methoxyethyl)amino)methyl)-N,N-dimethylaniline

Database IDs

• PubChem SID: 162216721
• PubChem CID: 3979552

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5612823
• LogD (pH = 7.4): -0.20443255
• Log P: 1.592663
• Molar Refractivity: 64.7781 cm^3
• Polarizability: 24.744442 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true