2-(2-aminoethoxy)-1,3,5-trimethylbenzene

• ChemBase ID: 312461
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(c(cc(cc1C)C)C)OCCN
• Canonical SMILES: NCCOc1c(C)cc(cc1C)C
• InChI: InChI=1S/C11H17NO/c1-8-6-9(2)11(10(3)7-8)13-5-4-12/h6-7H,4-5,12H2,1-3H3
• InChIKey: NWFGWNKUWSKFLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-aminoethoxy)-1,3,5-trimethylbenzene
• IUPAC Traditional name: 2-(2-aminoethoxy)-1,3,5-trimethylbenzene
• Synonyms: 2-(mesityloxy)ethanamine

Database IDs

• CAS Number: 91339-50-3
• MDL Number: MFCD05259329

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.40274087
• LogD (pH = 7.4): 0.702908
• Log P: 2.5588548
• Molar Refractivity: 55.5946 cm^3
• Polarizability: 21.52561 Å^3
• Polar Surface Area: 35.25 Å^2