3-(2-amino-2-methylpropyl)aniline

• ChemBase ID: 813901
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: Nc1cc(ccc1)CC(C)(C)N
• Canonical SMILES: Nc1cccc(c1)CC(N)(C)C
• InChI: InChI=1S/C10H16N2/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,11-12H2,1-2H3
• InChIKey: LMBGZWOGUHGFAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-amino-2-methylpropyl)aniline
• IUPAC Traditional name: 3-(2-amino-2-methylpropyl)aniline
• Synonyms: 3-(2-amino-2-methylpropyl)aniline

Database IDs

• CAS Number: 266315-06-4

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8252667
• LogD (pH = 7.4): -1.3812175
• Log P: 1.2559012
• Molar Refractivity: 53.0438 cm^3
• Polarizability: 20.318935 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2

PROPERTIES

Product Information

• Purity: 98%