2-(oxolan-3-yloxy)aniline

• ChemBase ID: 238216
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: c1(OC2CCOC2)c(N)cccc1
• Canonical SMILES: Nc1ccccc1OC1COCC1
• InChI: InChI=1S/C10H13NO2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8H,5-7,11H2
• InChIKey: XJVZNNDBFBWNFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxolan-3-yloxy)aniline
• IUPAC Traditional name: 2-(oxolan-3-yloxy)aniline
• Synonyms: 2-(oxolan-3-yloxy)aniline

Database IDs

• MDL Number: MFCD18364544
• PubChem SID: 164294126
• PubChem CID: 63557608

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8604471
• LogD (pH = 7.4): 0.8875185
• Log P: 0.88787496
• Molar Refractivity: 50.8317 cm^3
• Polarizability: 19.475086 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.93

Product Information

• Purity: 95%