5-(4-tert-butylphenyl)pyridin-2-amine

• ChemBase ID: 291043
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: Nc1ncc(c2ccc(C(C)(C)C)cc2)cc1
• Canonical SMILES: Nc1ccc(cn1)c1ccc(cc1)C(C)(C)C
• InChI: InChI=1S/C15H18N2/c1-15(2,3)13-7-4-11(5-8-13)12-6-9-14(16)17-10-12/h4-10H,1-3H3,(H2,16,17)
• InChIKey: GZPLGDSJCFACQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-tert-butylphenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(4-tert-butylphenyl)pyridin-2-amine
• Synonyms: 5-(4-(tert-Butyl)phenyl)pyridin-2-amine

Database IDs

• CAS Number: 893738-38-0
• PubChem SID: 180676574
• PubChem CID: 16768900

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.90189
• LogD (pH = 7.4): 3.678282
• Log P: 3.7133865
• Molar Refractivity: 72.7171 cm^3
• Polarizability: 28.920338 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%