2-(4-aminophenyl)-N,N-diethylacetamide

• ChemBase ID: 256058
• Molecular Formular: C12H18N2O
• Molecular Mass: 206.28412
• Monoisotopic Mass: 206.14191321
• SMILES: C(=O)(N(CC)CC)Cc1ccc(N)cc1
• Canonical SMILES: CCN(C(=O)Cc1ccc(cc1)N)CC
• InChI: InChI=1S/C12H18N2O/c1-3-14(4-2)12(15)9-10-5-7-11(13)8-6-10/h5-8H,3-4,9,13H2,1-2H3
• InChIKey: IHFMITFYRHDQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminophenyl)-N,N-diethylacetamide
• IUPAC Traditional name: 2-(4-aminophenyl)-N,N-diethylacetamide
• Synonyms: 2-(4-aminophenyl)-N,N-diethylacetamide

Database IDs

• MDL Number: MFCD09047822
• PubChem SID: 164311968
• PubChem CID: 16775389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1017327
• LogD (pH = 7.4): 1.1356435
• Log P: 1.1360936
• Molar Refractivity: 63.1788 cm^3
• Polarizability: 23.725334 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 87 - 89°C
• Hydrophobicity(logP): 0.797

Product Information

• Purity: 95%