2-[(2-methylprop-2-en-1-yl)oxy]aniline

• ChemBase ID: 307780
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: O(c1c(N)cccc1)CC(=C)C
• Canonical SMILES: CC(=C)COc1ccccc1N
• InChI: InChI=1S/C10H13NO/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6H,1,7,11H2,2H3
• InChIKey: KXWXNGOHHAPVBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylprop-2-en-1-yl)oxy]aniline
• IUPAC Traditional name: 2-[(2-methylprop-2-en-1-yl)oxy]aniline
• Synonyms: 2-[(2-methylprop-2-en-1-yl)oxy]aniline

Database IDs

• CAS Number: 55000-14-1
• MDL Number: MFCD06801091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9258198
• LogD (pH = 7.4): 1.9607948
• Log P: 1.9612597
• Molar Refractivity: 50.6663 cm^3
• Polarizability: 19.284441 Å^3
• Polar Surface Area: 35.25 Å^2