4-methyl-3-(oxolan-3-yloxy)aniline

• ChemBase ID: 234936
• Molecular Formular: C11H15NO2
• Molecular Mass: 193.2423
• Monoisotopic Mass: 193.11027873
• SMILES: c1(cc(N)ccc1C)OC1CCOC1
• Canonical SMILES: Nc1ccc(c(c1)OC1COCC1)C
• InChI: InChI=1S/C11H15NO2/c1-8-2-3-9(12)6-11(8)14-10-4-5-13-7-10/h2-3,6,10H,4-5,7,12H2,1H3
• InChIKey: GQNZJKNVZLBNCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(oxolan-3-yloxy)aniline
• IUPAC Traditional name: 4-methyl-3-(oxolan-3-yloxy)aniline
• Synonyms: 4-methyl-3-(oxolan-3-yloxy)aniline

Database IDs

• MDL Number: MFCD18365564
• PubChem SID: 164290846
• PubChem CID: 63557528

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3695356
• LogD (pH = 7.4): 1.4008815
• Log P: 1.4012964
• Molar Refractivity: 55.8729 cm^3
• Polarizability: 21.237698 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.249

Product Information

• Purity: 95%