2,4-di-tert-butyl-6-methylaniline

• ChemBase ID: 85195
• Molecular Formular: C15H25N
• Molecular Mass: 219.3657
• Monoisotopic Mass: 219.19869981
• SMILES: Nc1c(cc(cc1C)C(C)(C)C)C(C)(C)C
• Canonical SMILES: Cc1cc(cc(c1N)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C15H25N/c1-10-8-11(14(2,3)4)9-12(13(10)16)15(5,6)7/h8-9H,16H2,1-7H3
• InChIKey: KOENVNBHHIFQKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-di-tert-butyl-6-methylaniline
• IUPAC Traditional name: 2,4-di-tert-butyl-6-methylaniline
• Synonyms: 2,4-di(tert-butyl)-6-methylaniline

Database IDs

• MDL Number: MFCD00709446
• PubChem SID: 162072311
• PubChem CID: 520746

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7238345
• LogD (pH = 7.4): 4.747543
• Log P: 4.7478538
• Molar Refractivity: 73.1314 cm^3
• Polarizability: 27.870607 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true