3,5-di-tert-butyl-2-methoxyaniline

• ChemBase ID: 259975
• Molecular Formular: C15H25NO
• Molecular Mass: 235.3651
• Monoisotopic Mass: 235.19361443
• SMILES: c1(c(c(cc(c1)C(C)(C)C)N)OC)C(C)(C)C
• Canonical SMILES: COc1c(N)cc(cc1C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C15H25NO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,16H2,1-7H3
• InChIKey: JPFIMHWMRKFKOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-di-tert-butyl-2-methoxyaniline
• IUPAC Traditional name: 3,5-di-tert-butyl-2-methoxyaniline
• Synonyms: 3,5-di-tert-butyl-2-methoxyaniline

Database IDs

• MDL Number: MFCD12197084
• PubChem SID: 164315885
• PubChem CID: 45791470

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0026608
• LogD (pH = 7.4): 4.075744
• Log P: 4.0767612
• Molar Refractivity: 74.5534 cm^3
• Polarizability: 28.586182 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79 - 81°C
• Hydrophobicity(logP): 4.836

Product Information

• Purity: 95%