methyl[2-methyl-2-(4-methylphenyl)propyl]amine

• ChemBase ID: 283282
• Molecular Formular: C12H19N
• Molecular Mass: 177.28596
• Monoisotopic Mass: 177.15174961
• SMILES: C(c1ccc(cc1)C)(CNC)(C)C
• Canonical SMILES: CNCC(c1ccc(cc1)C)(C)C
• InChI: InChI=1S/C12H19N/c1-10-5-7-11(8-6-10)12(2,3)9-13-4/h5-8,13H,9H2,1-4H3
• InChIKey: COOJIICPCHDRLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-methyl-2-(4-methylphenyl)propyl]amine
• IUPAC Traditional name: methyl[2-methyl-2-(4-methylphenyl)propyl]amine
• Synonyms: methyl[2-methyl-2-(4-methylphenyl)propyl]amine

Database IDs

• MDL Number: MFCD16301792
• PubChem SID: 180668813
• PubChem CID: 54595707

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.14899689
• LogD (pH = 7.4): 0.4417274
• Log P: 3.0766509
• Molar Refractivity: 57.9719 cm^3
• Polarizability: 22.821297 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.876

Product Information

• Purity: 95%