4-[2-(4-aminophenyl)propan-2-yl]aniline

• ChemBase ID: 79301
• Molecular Formular: C15H18N2
• Molecular Mass: 226.31682
• Monoisotopic Mass: 226.14699859
• SMILES: Nc1ccc(cc1)C(c1ccc(cc1)N)(C)C
• Canonical SMILES: CC(c1ccc(cc1)N)(c1ccc(cc1)N)C
• InChI: InChI=1S/C15H18N2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10H,16-17H2,1-2H3
• InChIKey: ZYEDGEXYGKWJPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(4-aminophenyl)propan-2-yl]aniline
• IUPAC Traditional name: 4-[2-(4-aminophenyl)propan-2-yl]aniline
• Synonyms: 4-[1-(4-aminophenyl)-1-methylethyl]aniline; 4,4'-(Propane-2,2-diyl)dianiline

Database IDs

• CAS Number: 2479-47-2
• MDL Number: MFCD00438683
• PubChem SID: 162044064
• PubChem CID: 75591

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9216714
• LogD (pH = 7.4): 2.9932828
• Log P: 2.994254
• Molar Refractivity: 84.7141 cm^3
• Polarizability: 27.70207 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%