4-{[4-amino-3,5-bis(propan-2-yl)phenyl]methyl}-2,6-bis(propan-2-yl)aniline

• ChemBase ID: 798928
• Molecular Formular: C25H38N2
• Molecular Mass: 366.58262
• Monoisotopic Mass: 366.30349923
• SMILES: C(c1cc(c(N)c(c1)C(C)C)C(C)C)c1cc(c(N)c(c1)C(C)C)C(C)C
• Canonical SMILES: CC(c1cc(Cc2cc(C(C)C)c(c(c2)C(C)C)N)cc(c1N)C(C)C)C
• InChI: InChI=1S/C25H38N2/c1-14(2)20-10-18(11-21(15(3)4)24(20)26)9-19-12-22(16(5)6)25(27)23(13-19)17(7)8/h10-17H,9,26-27H2,1-8H3
• InChIKey: KZTROCYBPMKGAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-amino-3,5-bis(propan-2-yl)phenyl]methyl}-2,6-bis(propan-2-yl)aniline
• IUPAC Traditional name: 4-[(4-amino-3,5-diisopropylphenyl)methyl]-2,6-diisopropylaniline
• Synonyms: 4,4'-METHYLENEBIS(2,6-DIISOPROPYLANILINE)

Database IDs

• CAS Number: 19900-69-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 7.3700023
• LogD (pH = 7.4): 7.387005
• Log P: 7.3872247
• Molar Refractivity: 121.9592 cm^3
• Polarizability: 45.84363 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%