4-(4-tert-butylphenoxy)aniline

• ChemBase ID: 28584
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: C(c1ccc(Oc2ccc(N)cc2)cc1)(C)(C)C
• Canonical SMILES: Nc1ccc(cc1)Oc1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C16H19NO/c1-16(2,3)12-4-8-14(9-5-12)18-15-10-6-13(17)7-11-15/h4-11H,17H2,1-3H3
• InChIKey: FHOZTGQNSUZCIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-tert-butylphenoxy)aniline
• IUPAC Traditional name: 4-(4-tert-butylphenoxy)aniline
• Synonyms: 4-(4-tert-Butylphenoxy)aniline

Database IDs

• MDL Number: MFCD00443715
• PubChem SID: 160991891
• PubChem CID: 82498

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.1624656
• LogD (pH = 7.4): 4.18931
• Log P: 4.1896634
• Molar Refractivity: 75.6651 cm^3
• Polarizability: 29.124842 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false