CAS 887354-48-5
:1-(3-Aminopropyl)-1-(4-chlorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile
Description:
1-(3-Aminopropyl)-1-(4-chlorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile, with the CAS number 887354-48-5, is a chemical compound that features a complex structure incorporating an isobenzofuran moiety, a nitrile group, and an amine side chain. This compound is characterized by its potential biological activity, often investigated in the context of medicinal chemistry and pharmacology. The presence of the 4-chlorophenyl group may influence its lipophilicity and interaction with biological targets. The amine functionality suggests potential for hydrogen bonding, which can affect solubility and reactivity. Additionally, the nitrile group can participate in various chemical reactions, making this compound versatile in synthetic applications. Its unique structure may also confer specific pharmacokinetic properties, which are crucial for its efficacy and safety profile in therapeutic contexts. Overall, this compound represents a class of molecules that may exhibit interesting pharmacological properties, warranting further research into its applications in drug development.
Formula:C18H17ClN2O
InChI:InChI=1S/C18H17ClN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2
InChI key:InChIKey=VWLLOQFYAPCTPG-UHFFFAOYSA-N
SMILES:C(CCN)C1(C=2C(CO1)=CC(C#N)=CC2)C3=CC=C(Cl)C=C3
Synonyms:- 5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-chlorophenyl)-1,3-dihydro-
- 1-(3-Aminopropyl)-1-(4-chlorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile
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