2-methyl-4-(propan-2-yloxy)aniline

• ChemBase ID: 261053
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)OC(C)C)N)C
• Canonical SMILES: CC(Oc1ccc(c(c1)C)N)C
• InChI: InChI=1S/C10H15NO/c1-7(2)12-9-4-5-10(11)8(3)6-9/h4-7H,11H2,1-3H3
• InChIKey: DOTUVNACBIUMNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(propan-2-yloxy)aniline
• IUPAC Traditional name: 4-isopropoxy-2-methylaniline
• Synonyms: 2-methyl-4-(propan-2-yloxy)aniline

Database IDs

• MDL Number: MFCD09734243
• PubChem SID: 164316963
• PubChem CID: 16787483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.151892
• LogD (pH = 7.4): 2.2716873
• Log P: 2.273453
• Molar Refractivity: 51.4302 cm^3
• Polarizability: 19.4398 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.291

Product Information

• Purity: 95%