2-(2-benzylphenoxy)-5-methylaniline

• ChemBase ID: 19827
• Molecular Formular: C20H19NO
• Molecular Mass: 289.37096
• Monoisotopic Mass: 289.14666423
• SMILES: O(c1c(cc(cc1)C)N)c1c(Cc2ccccc2)cccc1
• Canonical SMILES: Cc1ccc(c(c1)N)Oc1ccccc1Cc1ccccc1
• InChI: InChI=1S/C20H19NO/c1-15-11-12-20(18(21)13-15)22-19-10-6-5-9-17(19)14-16-7-3-2-4-8-16/h2-13H,14,21H2,1H3
• InChIKey: ACRQTXHEXLTFCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-benzylphenoxy)-5-methylaniline
• IUPAC Traditional name: 2-(2-benzylphenoxy)-5-methylaniline
• Synonyms: 2-(2-Benzylphenoxy)-5-methylaniline

Database IDs

• MDL Number: MFCD08686899
• PubChem SID: 160983134
• PubChem CID: 26189475

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.246904
• LogD (pH = 7.4): 5.2497854
• Log P: 5.2498226
• Molar Refractivity: 91.7776 cm^3
• Polarizability: 34.992287 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false