3-[(2-ethoxyethoxy)methyl]aniline

• ChemBase ID: 259869
• Molecular Formular: C11H17NO2
• Molecular Mass: 195.25818
• Monoisotopic Mass: 195.12592879
• SMILES: c1c(N)cccc1COCCOCC
• Canonical SMILES: CCOCCOCc1cccc(c1)N
• InChI: InChI=1S/C11H17NO2/c1-2-13-6-7-14-9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,12H2,1H3
• InChIKey: NXQMKGBVRDJEGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-ethoxyethoxy)methyl]aniline
• IUPAC Traditional name: 3-[(2-ethoxyethoxy)methyl]aniline
• Synonyms: 3-[(2-ethoxyethoxy)methyl]aniline

Database IDs

• MDL Number: MFCD09804675
• PubChem SID: 164315779
• PubChem CID: 20113789

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3113569
• LogD (pH = 7.4): 1.3296902
• Log P: 1.329929
• Molar Refractivity: 58.1176 cm^3
• Polarizability: 22.05354 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.146

Product Information

• Purity: 95%