N-{[2-(2-ethoxyethoxy)phenyl]methyl}-3,4-dimethylaniline

• ChemBase ID: 29589
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: c1(CNc2cc(c(cc2)C)C)c(OCCOCC)cccc1
• Canonical SMILES: CCOCCOc1ccccc1CNc1ccc(c(c1)C)C
• InChI: InChI=1S/C19H25NO2/c1-4-21-11-12-22-19-8-6-5-7-17(19)14-20-18-10-9-15(2)16(3)13-18/h5-10,13,20H,4,11-12,14H2,1-3H3
• InChIKey: ATHBVKUBJYWOTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-ethoxyethoxy)phenyl]methyl}-3,4-dimethylaniline
• IUPAC Traditional name: N-{[2-(2-ethoxyethoxy)phenyl]methyl}-3,4-dimethylaniline
• Synonyms: N-[2-(2-Ethoxyethoxy)benzyl]-3,4-dimethylaniline

Database IDs

• MDL Number: MFCD10688184
• PubChem SID: 160992896
• PubChem CID: 28308936

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.319114
• LogD (pH = 7.4): 4.349105
• Log P: 4.349501
• Molar Refractivity: 93.2021 cm^3
• Polarizability: 35.183178 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