N-[2-(4-ethylphenoxy)propyl]-4-methoxyaniline

• ChemBase ID: 28878
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: N(c1ccc(cc1)OC)CC(Oc1ccc(cc1)CC)C
• Canonical SMILES: CCc1ccc(cc1)OC(CNc1ccc(cc1)OC)C
• InChI: InChI=1S/C18H23NO2/c1-4-15-5-9-18(10-6-15)21-14(2)13-19-16-7-11-17(20-3)12-8-16/h5-12,14,19H,4,13H2,1-3H3
• InChIKey: XJZZZGGLIXZYBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethylphenoxy)propyl]-4-methoxyaniline
• IUPAC Traditional name: N-[2-(4-ethylphenoxy)propyl]-4-methoxyaniline
• Synonyms: N-[2-(4-Ethylphenoxy)propyl]-4-methoxyaniline

Database IDs

• MDL Number: MFCD10687565
• PubChem SID: 160992185
• PubChem CID: 46736158

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.1257358
• LogD (pH = 7.4): 4.304141
• Log P: 4.3069673
• Molar Refractivity: 87.3282 cm^3
• Polarizability: 33.403187 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