N-{[3-(2-ethoxyethoxy)phenyl]methyl}-2,6-dimethylaniline

• ChemBase ID: 29184
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: N(c1c(cccc1C)C)Cc1cc(OCCOCC)ccc1
• Canonical SMILES: CCOCCOc1cccc(c1)CNc1c(C)cccc1C
• InChI: InChI=1S/C19H25NO2/c1-4-21-11-12-22-18-10-6-9-17(13-18)14-20-19-15(2)7-5-8-16(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3
• InChIKey: RYZYUQVKGSBLPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-ethoxyethoxy)phenyl]methyl}-2,6-dimethylaniline
• IUPAC Traditional name: N-{[3-(2-ethoxyethoxy)phenyl]methyl}-2,6-dimethylaniline
• Synonyms: N-[3-(2-Ethoxyethoxy)benzyl]-2,6-dimethylaniline

Database IDs

• MDL Number: MFCD10687807
• PubChem SID: 160992491
• PubChem CID: 28308447

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.340901
• LogD (pH = 7.4): 4.3493915
• Log P: 4.349501
• Molar Refractivity: 93.2021 cm^3
• Polarizability: 35.184013 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false