N-(2-aminophenyl)-2-methylbutanamide

• ChemBase ID: 308417
• Molecular Formular: C11H16N2O
• Molecular Mass: 192.25754
• Monoisotopic Mass: 192.12626314
• SMILES: C(=O)(Nc1c(N)cccc1)C(CC)C
• Canonical SMILES: CCC(C(=O)Nc1ccccc1N)C
• InChI: InChI=1S/C11H16N2O/c1-3-8(2)11(14)13-10-7-5-4-6-9(10)12/h4-8H,3,12H2,1-2H3,(H,13,14)
• InChIKey: RVOMNSYDHZDQHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminophenyl)-2-methylbutanamide
• IUPAC Traditional name: N-(2-aminophenyl)-2-methylbutanamide
• Synonyms: N-(2-aminophenyl)-2-methylbutanamide

Database IDs

• CAS Number: 946768-61-2
• MDL Number: MFCD09732844

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.0659418
• LogD (pH = 7.4): 2.0700681
• Log P: 2.070121
• Molar Refractivity: 59.4238 cm^3
• Polarizability: 21.872845 Å^3
• Polar Surface Area: 55.12 Å^2