1-(2-aminoethoxy)-4-ethylbenzene

• ChemBase ID: 55929
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: c1(ccc(cc1)CC)OCCN
• Canonical SMILES: NCCOc1ccc(cc1)CC
• InChI: InChI=1S/C10H15NO/c1-2-9-3-5-10(6-4-9)12-8-7-11/h3-6H,2,7-8,11H2,1H3
• InChIKey: AQSXXTOBTSMTQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethoxy)-4-ethylbenzene
• IUPAC Traditional name: 1-(2-aminoethoxy)-4-ethylbenzene
• Synonyms: [2-(4-Ethylphenoxy)ethyl]amine; 2-(4-ethylphenoxy)ethanamine

Database IDs

• CAS Number: 67333-08-8
• MDL Number: MFCD06654518
• PubChem SID: 162060692
• PubChem CID: 2794217

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9850171
• LogD (pH = 7.4): 0.12062111
• Log P: 1.9765807
• Molar Refractivity: 50.1132 cm^3
• Polarizability: 19.836338 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false