N-(1-amino-2-methylpropan-2-yl)aniline

• ChemBase ID: 124313
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: N(C(CN)(C)C)c1ccccc1
• Canonical SMILES: NCC(Nc1ccccc1)(C)C
• InChI: InChI=1S/C10H16N2/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-7,12H,8,11H2,1-2H3
• InChIKey: YXGMENLRJAUPPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-amino-2-methylpropan-2-yl)aniline
• IUPAC Traditional name: N-(1-amino-2-methylpropan-2-yl)aniline
• Synonyms: 2-methyl-N2-phenylpropane-1,2-diamine

Database IDs

• PubChem SID: 162218666
• PubChem CID: 12447264

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.6585582
• LogD (pH = 7.4): -0.8755933
• Log P: 1.3461919
• Molar Refractivity: 53.2586 cm^3
• Polarizability: 20.40088 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true