N-methyl-2-(propan-2-yl)aniline

• ChemBase ID: 28832
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(NC)cccc1)C(C)C
• Canonical SMILES: CNc1ccccc1C(C)C
• InChI: InChI=1S/C10H15N/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8,11H,1-3H3
• InChIKey: SRDCXRIXVSRXMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(propan-2-yl)aniline
• IUPAC Traditional name: 2-isopropyl-N-methylaniline
• Synonyms: 2-Isopropyl-N-methylaniline

Database IDs

• MDL Number: MFCD09999703
• PubChem SID: 160992139
• PubChem CID: 18686608

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6528199
• LogD (pH = 7.4): 2.6905303
• Log P: 2.6910331
• Molar Refractivity: 50.4426 cm^3
• Polarizability: 18.801905 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false