2-(1-amino-2-methylpropyl)aniline

• ChemBase ID: 244140
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: c1(C(N)C(C)C)c(N)cccc1
• Canonical SMILES: CC(C(c1ccccc1N)N)C
• InChI: InChI=1S/C10H16N2/c1-7(2)10(12)8-5-3-4-6-9(8)11/h3-7,10H,11-12H2,1-2H3
• InChIKey: HWDOANAVTQXODT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-amino-2-methylpropyl)aniline
• IUPAC Traditional name: 2-(1-amino-2-methylpropyl)aniline
• Synonyms: 2-(1-amino-2-methylpropyl)aniline

Database IDs

• MDL Number: MFCD18705493
• PubChem SID: 164300050
• PubChem CID: 55283664

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4060733
• LogD (pH = 7.4): -0.4041622
• Log P: 1.5741585
• Molar Refractivity: 52.6462 cm^3
• Polarizability: 20.39683 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.054

Product Information

• Purity: 95%