2-(butan-2-yloxy)aniline

• ChemBase ID: 308286
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(OC(CC)C)c(N)cccc1
• Canonical SMILES: CCC(Oc1ccccc1N)C
• InChI: InChI=1S/C10H15NO/c1-3-8(2)12-10-7-5-4-6-9(10)11/h4-8H,3,11H2,1-2H3
• InChIKey: RDWZXAYXEUNBBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(butan-2-yloxy)aniline
• IUPAC Traditional name: 2-(sec-butoxy)aniline
• Synonyms: (2-sec-butoxyphenyl)amine

Database IDs

• CAS Number: 52464-53-6
• MDL Number: MFCD11053947

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2449813
• LogD (pH = 7.4): 2.28206
• Log P: 2.282554
• Molar Refractivity: 50.913 cm^3
• Polarizability: 19.520842 Å^3
• Polar Surface Area: 35.25 Å^2