4-[2-(2-chlorophenyl)ethenyl]aniline

C14H12ClN — CID 54098243

IUPAC4-[2-(2-chlorophenyl)ethenyl]aniline
SMILESNc1ccc(C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClN/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-10H,16H2
InChIKeyMYRJROTZPURHEX-UHFFFAOYSA-N
MW229.71 g/mol
LogP4.09
Rot. Bonds2

About 4-[2-(2-chlorophenyl)ethenyl]aniline

4-[2-(2-chlorophenyl)ethenyl]aniline (PubChem CID 54098243) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)ethenyl]aniline.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)ethenyl]aniline
PubChem CID54098243
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name4-[2-(2-chlorophenyl)ethenyl]aniline
SMILESNc1ccc(C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClN/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-10H,16H2
InChIKeyMYRJROTZPURHEX-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)ethenyl]aniline?
The IUPAC name of 4-[2-(2-chlorophenyl)ethenyl]aniline (CID 54098243) is 4-[2-(2-chlorophenyl)ethenyl]aniline.
What is the SMILES notation for 4-[2-(2-chlorophenyl)ethenyl]aniline?
The canonical SMILES for 4-[2-(2-chlorophenyl)ethenyl]aniline is Nc1ccc(C=Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-(2-chlorophenyl)ethenyl]aniline?
The InChIKey is MYRJROTZPURHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN/c15-14-4-2-1-3-12(14)8-5-11-6-9-13(16)10-7-11/h1-10H,16H2.
What are the key properties of 4-[2-(2-chlorophenyl)ethenyl]aniline?
4-[2-(2-chlorophenyl)ethenyl]aniline has a molecular weight of 229.71 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)ethenyl]aniline is sourced from PubChem (CID 54098243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).