2-(aminomethyl)-N-(2-methoxyethyl)-N-methylaniline

• ChemBase ID: 278162
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: c1(c(CN)cccc1)N(CCOC)C
• Canonical SMILES: COCCN(c1ccccc1CN)C
• InChI: InChI=1S/C11H18N2O/c1-13(7-8-14-2)11-6-4-3-5-10(11)9-12/h3-6H,7-9,12H2,1-2H3
• InChIKey: VUHMKIBCELMPTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-N-(2-methoxyethyl)-N-methylaniline
• IUPAC Traditional name: 2-(aminomethyl)-N-(2-methoxyethyl)-N-methylaniline
• Synonyms: 2-(aminomethyl)-N-(2-methoxyethyl)-N-methylaniline

Database IDs

• MDL Number: MFCD14664306
• PubChem SID: 164334072
• PubChem CID: 54594839

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7634419
• LogD (pH = 7.4): -0.5048041
• Log P: 1.1600826
• Molar Refractivity: 60.0035 cm^3
• Polarizability: 22.89929 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.281

Product Information

• Purity: 95%