4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline

C16H16ClN — CID 5463467

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+
InChIKeyOKQSWCXNELJRIO-ONEGZZNKSA-N
MW257.76 g/mol
LogP4.58
Rot. Bonds3

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline

4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 5463467) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID5463467
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+
InChIKeyOKQSWCXNELJRIO-ONEGZZNKSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline (CID 5463467) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is OKQSWCXNELJRIO-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H16ClN/c1-18(2)16-11-7-14(8-12-16)4-3-13-5-9-15(17)10-6-13/h3-12H,1-2H3/b4-3+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline has a molecular weight of 257.76 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 5463467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).