3-(benzyloxy)-N-[2-(3-methylphenoxy)propyl]aniline

• ChemBase ID: 29556
• Molecular Formular: C23H25NO2
• Molecular Mass: 347.4501
• Monoisotopic Mass: 347.18852905
• SMILES: N(c1cc(OCc2ccccc2)ccc1)CC(Oc1cc(ccc1)C)C
• Canonical SMILES: CC(Oc1cccc(c1)C)CNc1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C23H25NO2/c1-18-8-6-13-23(14-18)26-19(2)16-24-21-11-7-12-22(15-21)25-17-20-9-4-3-5-10-20/h3-15,19,24H,16-17H2,1-2H3
• InChIKey: UXUSVNORTCUIAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-N-[2-(3-methylphenoxy)propyl]aniline
• IUPAC Traditional name: 3-(benzyloxy)-N-[2-(3-methylphenoxy)propyl]aniline
• Synonyms: 3-(Benzyloxy)-N-[2-(3-methylphenoxy)propyl]aniline

Database IDs

• MDL Number: MFCD10688151
• PubChem SID: 160992863
• PubChem CID: 46736319

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.5797133
• LogD (pH = 7.4): 5.586781
• Log P: 5.5868716
• Molar Refractivity: 107.3398 cm^3
• Polarizability: 41.18272 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false