N-{[4-(2-methoxyethoxy)phenyl]methyl}-4-(2-phenoxyethoxy)aniline

• ChemBase ID: 29371
• Molecular Formular: C24H27NO4
• Molecular Mass: 393.47548
• Monoisotopic Mass: 393.19400835
• SMILES: N(c1ccc(cc1)OCCOc1ccccc1)Cc1ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)CNc1ccc(cc1)OCCOc1ccccc1
• InChI: InChI=1S/C24H27NO4/c1-26-15-16-27-23-11-7-20(8-12-23)19-25-21-9-13-24(14-10-21)29-18-17-28-22-5-3-2-4-6-22/h2-14,25H,15-19H2,1H3
• InChIKey: IREXTKURQOZIBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(2-methoxyethoxy)phenyl]methyl}-4-(2-phenoxyethoxy)aniline
• IUPAC Traditional name: N-{[4-(2-methoxyethoxy)phenyl]methyl}-4-(2-phenoxyethoxy)aniline
• Synonyms: N-[4-(2-Methoxyethoxy)benzyl]-4-(2-phenoxyethoxy)-aniline

Database IDs

• MDL Number: MFCD10687976
• PubChem SID: 160992678
• PubChem CID: 28308685

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 4.348007
• LogD (pH = 7.4): 4.450747
• Log P: 4.4522285
• Molar Refractivity: 115.3865 cm^3
• Polarizability: 44.428715 Å^3
• Polar Surface Area: 48.95 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false