CAS 848819-86-3

Ethyl 3-amino-4-[(phenylmethyl)amino]benzoate

Description:

Ethyl 3-amino-4-[(phenylmethyl)amino]benzoate, with the CAS number 848819-86-3, is an organic compound characterized by its structure, which includes an ethyl ester group, an amino group, and a phenylmethylamino substituent on a benzoate backbone. This compound typically exhibits properties associated with both amines and esters, such as moderate solubility in organic solvents and potential reactivity due to the presence of the amino functional groups. The presence of the phenylmethyl group may enhance its lipophilicity, influencing its biological activity and interaction with various biological targets. Ethyl 3-amino-4-[(phenylmethyl)amino]benzoate may be of interest in medicinal chemistry for its potential applications in drug development, particularly in the synthesis of compounds with therapeutic properties. Its molecular structure suggests it could participate in hydrogen bonding and other intermolecular interactions, which are crucial for its behavior in biological systems. As with many organic compounds, safety and handling precautions should be observed due to potential toxicity or reactivity.

Formula: C₁₆H₁₈N₂O₂

InChI: InChI=1S/C16H18N2O2/c1-2-20-16(19)13-8-9-15(14(17)10-13)18-11-12-6-4-3-5-7-12/h3-10,18H,2,11,17H2,1H3

InChI key: InChIKey=UZHGOOKAYVYECF-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=CC(N)=C(NCC2=CC=CC=C2)C=C1

Synonyms:

• Ethyl 3-amino-4-[(phenylmethyl)amino]benzoate
• Benzoic acid, 3-amino-4-[(phenylmethyl)amino]-, ethyl ester