2-(2-aminoethoxy)-1,4-dimethylbenzene

• ChemBase ID: 308493
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(c(ccc(c1)C)C)OCCN
• Canonical SMILES: Cc1ccc(cc1OCCN)C
• InChI: InChI=1S/C10H15NO/c1-8-3-4-9(2)10(7-8)12-6-5-11/h3-4,7H,5-6,11H2,1-2H3
• InChIKey: IYHRVDDDRMNGIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-1,4-dimethylbenzene
• IUPAC Traditional name: 2-(2-aminoethoxy)-1,4-dimethylbenzene
• Synonyms: 2-(2,5-dimethylphenoxy)ethanamine

Database IDs

• MDL Number: MFCD07754708

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9161633
• LogD (pH = 7.4): 0.18948027
• Log P: 2.0454335
• Molar Refractivity: 50.5534 cm^3
• Polarizability: 19.758717 Å^3
• Polar Surface Area: 35.25 Å^2