2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline

• ChemBase ID: 311127
• Molecular Formular: C15H14N2O
• Molecular Mass: 238.28446
• Monoisotopic Mass: 238.11061308
• SMILES: n1c(oc2c1cc(cc2)C)c1cc(c(cc1)N)C
• Canonical SMILES: Cc1ccc2c(c1)nc(o2)c1ccc(c(c1)C)N
• InChI: InChI=1S/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-4-5-12(16)10(2)8-11/h3-8H,16H2,1-2H3
• InChIKey: USNUQFSZYXTEED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
• IUPAC Traditional name: 2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline
• Synonyms: 2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline

Database IDs

• CAS Number: 418808-71-6
• MDL Number: MFCD00606391

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5419037
• LogD (pH = 7.4): 3.5425444
• Log P: 3.5425525
• Molar Refractivity: 82.6075 cm^3
• Polarizability: 28.831009 Å^3
• Polar Surface Area: 52.05 Å^2