2-(methoxymethyl)-N,6-dimethylaniline

• ChemBase ID: 75562
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(c1c(cccc1C)COC)C
• Canonical SMILES: COCc1cccc(c1NC)C
• InChI: InChI=1S/C10H15NO/c1-8-5-4-6-9(7-12-3)10(8)11-2/h4-6,11H,7H2,1-3H3
• InChIKey: YWMSSFJXQDPVDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-N,6-dimethylaniline
• IUPAC Traditional name: 2-(methoxymethyl)-N,6-dimethylaniline
• Synonyms: 2-(MethoxyMethyl)-N,6-diMethylaniline; N-Methyl 2-methyl-6-methoxymethylaniline; N,6-Dimethyl-2-(methoxymethyl)aniline 96%

Database IDs

• CAS Number: 941294-11-7
• MDL Number: MFCD09475902
• PubChem SID: 162040480
• PubChem CID: 26369935

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8289917
• LogD (pH = 7.4): 1.8351431
• Log P: 1.8352221
• Molar Refractivity: 52.8601 cm^3
• Polarizability: 19.45102 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%