2-(oxolan-2-ylmethoxy)-N-[(4-phenylphenyl)methyl]aniline

• ChemBase ID: 28764
• Molecular Formular: C24H25NO2
• Molecular Mass: 359.4608
• Monoisotopic Mass: 359.18852905
• SMILES: N(c1c(OCC2OCCC2)cccc1)Cc1ccc(c2ccccc2)cc1
• Canonical SMILES: C1COC(C1)COc1ccccc1NCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C24H25NO2/c1-2-7-20(8-3-1)21-14-12-19(13-15-21)17-25-23-10-4-5-11-24(23)27-18-22-9-6-16-26-22/h1-5,7-8,10-15,22,25H,6,9,16-18H2
• InChIKey: HWFNIMULSCQJNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-2-ylmethoxy)-N-[(4-phenylphenyl)methyl]aniline
• IUPAC Traditional name: 2-(oxolan-2-ylmethoxy)-N-[(4-phenylphenyl)methyl]aniline
• Synonyms: N-([1,1'-Biphenyl]-4-ylmethyl)-2-(tetrahydro-2-furanylmethoxy)aniline

Database IDs

• MDL Number: MFCD10687482
• PubChem SID: 160992071
• PubChem CID: 46736130

CALCULATED PROPERTIES

• Acid pKa: 18.99799
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.0556273
• LogD (pH = 7.4): 5.078343
• Log P: 5.07864
• Molar Refractivity: 110.7185 cm^3
• Polarizability: 43.78996 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false