2-methyl-4-phenylbutan-2-amine

• ChemBase ID: 815902
• Molecular Formular: C11H17N
• Molecular Mass: 163.25938
• Monoisotopic Mass: 163.13609955
• SMILES: NC(CCc1ccccc1)(C)C
• Canonical SMILES: CC(CCc1ccccc1)(N)C
• InChI: InChI=1S/C11H17N/c1-11(2,12)9-8-10-6-4-3-5-7-10/h3-7H,8-9,12H2,1-2H3
• InChIKey: PRJWYFPDHWJLEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-phenylbutan-2-amine
• IUPAC Traditional name: 2-methyl-4-phenylbutan-2-amine
• Synonyms: 1,1-DIMETHYL-3-PHENYL-PROPYLAMINE

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.23828673
• Log P: 2.5293958
• Molar Refractivity: 52.9444 cm^3
• Polarizability: 21.059431 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.49913517

PROPERTIES

Product Information

• Purity: 98%