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

C16H16ClN — CID 53425877

IUPAC2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN/c1-18(2)16-6-4-3-5-14(16)10-7-13-8-11-15(17)12-9-13/h3-12H,1-2H3
InChIKeyVMDGQXUKUGVEFA-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.58
Rot. Bonds3

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

2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline (PubChem CID 53425877) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
PubChem CID53425877
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN/c1-18(2)16-6-4-3-5-14(16)10-7-13-8-11-15(17)12-9-13/h3-12H,1-2H3
InChIKeyVMDGQXUKUGVEFA-UHFFFAOYSA-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': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline (CID 53425877) is 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline is CN(C)c1ccccc1C=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
The InChIKey is VMDGQXUKUGVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-18(2)16-6-4-3-5-14(16)10-7-13-8-11-15(17)12-9-13/h3-12H,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline?
2-[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 2-[2-(4-chlorophenyl)ethenyl]-N,N-dimethylaniline is sourced from PubChem (CID 53425877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).