2-(2-methylpropoxy)aniline

• ChemBase ID: 261037
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(c1c(N)cccc1)CC(C)C
• Canonical SMILES: CC(COc1ccccc1N)C
• InChI: InChI=1S/C10H15NO/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6,8H,7,11H2,1-2H3
• InChIKey: YZVXNNKOFAIRIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpropoxy)aniline
• IUPAC Traditional name: 2-(2-methylpropoxy)aniline
• Synonyms: 2-(2-methylpropoxy)aniline; (2-isobutoxyphenyl)amine

Database IDs

• CAS Number: 104065-95-4
• MDL Number: MFCD06800804
• PubChem SID: 164316947
• PubChem CID: 13654662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1921225
• LogD (pH = 7.4): 2.2304404
• Log P: 2.2309518
• Molar Refractivity: 50.9658 cm^3
• Polarizability: 19.520988 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.641

Product Information

• Purity: 95%