N-[2-(4-methoxyphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline

• ChemBase ID: 29364
• Molecular Formular: C23H25NO4
• Molecular Mass: 379.4489
• Monoisotopic Mass: 379.17835829
• SMILES: c1(NCCOc2ccc(cc2)OC)ccc(cc1)OCCOc1ccccc1
• Canonical SMILES: COc1ccc(cc1)OCCNc1ccc(cc1)OCCOc1ccccc1
• InChI: InChI=1S/C23H25NO4/c1-25-20-11-13-23(14-12-20)26-16-15-24-19-7-9-22(10-8-19)28-18-17-27-21-5-3-2-4-6-21/h2-14,24H,15-18H2,1H3
• InChIKey: ZFCYYYLPDLNDFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
• IUPAC Traditional name: N-[2-(4-methoxyphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline
• Synonyms: N-[2-(4-Methoxyphenoxy)ethyl]-4-(2-phenoxyethoxy)aniline

Database IDs

• MDL Number: MFCD10687969
• PubChem SID: 160992671
• PubChem CID: 28308679

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.252075
• LogD (pH = 7.4): 4.4162264
• Log P: 4.418781
• Molar Refractivity: 110.2826 cm^3
• Polarizability: 42.572605 Å^3
• Polar Surface Area: 48.95 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false