N-{[2-(2-methoxyethoxy)phenyl]methyl}-2,6-dimethylaniline

• ChemBase ID: 29183
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: N(c1c(cccc1C)C)Cc1c(OCCOC)cccc1
• Canonical SMILES: COCCOc1ccccc1CNc1c(C)cccc1C
• InChI: InChI=1S/C18H23NO2/c1-14-7-6-8-15(2)18(14)19-13-16-9-4-5-10-17(16)21-12-11-20-3/h4-10,19H,11-13H2,1-3H3
• InChIKey: ANQRNKSWBPZNGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methoxyethoxy)phenyl]methyl}-2,6-dimethylaniline
• IUPAC Traditional name: N-{[2-(2-methoxyethoxy)phenyl]methyl}-2,6-dimethylaniline
• Synonyms: N-[2-(2-Methoxyethoxy)benzyl]-2,6-dimethylaniline

Database IDs

• MDL Number: MFCD10687806
• PubChem SID: 160992490
• PubChem CID: 28308446

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.9856825
• LogD (pH = 7.4): 3.992604
• Log P: 3.992693
• Molar Refractivity: 88.4535 cm^3
• Polarizability: 33.338947 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false