2-(2-methylpropyl)aniline

• ChemBase ID: 237623
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: c1(c(N)cccc1)CC(C)C
• Canonical SMILES: CC(Cc1ccccc1N)C
• InChI: InChI=1S/C10H15N/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3
• InChIKey: UCDCWSBXWOGCKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropyl)aniline
• IUPAC Traditional name: 2-(2-methylpropyl)aniline
• Synonyms: 2-(2-methylpropyl)aniline

Database IDs

• MDL Number: MFCD00130034
• PubChem SID: 164293533
• PubChem CID: 3018083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8035862
• LogD (pH = 7.4): 2.8335025
• Log P: 2.8338976
• Molar Refractivity: 49.5502 cm^3
• Polarizability: 18.803148 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.821

Product Information

• Purity: 95%