1-(2-aminoethoxy)-4-propylbenzene

• ChemBase ID: 308030
• Molecular Formular: C11H17NO
• Molecular Mass: 179.25878
• Monoisotopic Mass: 179.13101417
• SMILES: c1(ccc(cc1)CCC)OCCN
• Canonical SMILES: CCCc1ccc(cc1)OCCN
• InChI: InChI=1S/C11H17NO/c1-2-3-10-4-6-11(7-5-10)13-9-8-12/h4-7H,2-3,8-9,12H2,1H3
• InChIKey: OGVHYWKBTXTLJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-4-propylbenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-4-propylbenzene
• Synonyms: 2-(4-propylphenoxy)ethanamine

Database IDs

• CAS Number: 120351-95-3
• MDL Number: MFCD07754712

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5404484
• LogD (pH = 7.4): 0.5651898
• Log P: 2.4211495
• Molar Refractivity: 54.7142 cm^3
• Polarizability: 21.682318 Å^3
• Polar Surface Area: 35.25 Å^2