4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline

C15H13Cl2N — CID 78323119

IUPAC4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2N/c1-18-12-8-5-11(6-9-12)7-10-13-14(16)3-2-4-15(13)17/h2-10,18H,1H3/b10-7+
InChIKeyMYAVIEFPFCTLFJ-JXMROGBWSA-N
MW278.18 g/mol
LogP5.21
Rot. Bonds3

About 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline

4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline (PubChem CID 78323119) has the molecular formula C15H13Cl2N and a molecular weight of 278.18 g/mol. Its IUPAC name is 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline
PubChem CID78323119
Molecular FormulaC15H13Cl2N
Molecular Weight278.18 g/mol
Exact Mass277.04
IUPAC Name4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline
SMILESCNc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H13Cl2N/c1-18-12-8-5-11(6-9-12)7-10-13-14(16)3-2-4-15(13)17/h2-10,18H,1H3/b10-7+
InChIKeyMYAVIEFPFCTLFJ-JXMROGBWSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.18
LogP ≤ 55.21
H-Bond Donors ≤ 51
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 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline?
The IUPAC name of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline (CID 78323119) is 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline.
What is the SMILES notation for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline?
The canonical SMILES for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline is CNc1ccc(/C=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline?
The InChIKey is MYAVIEFPFCTLFJ-JXMROGBWSA-N. The full InChI is InChI=1S/C15H13Cl2N/c1-18-12-8-5-11(6-9-12)7-10-13-14(16)3-2-4-15(13)17/h2-10,18H,1H3/b10-7+.
What are the key properties of 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline?
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline has a molecular weight of 278.18 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]-N-methylaniline is sourced from PubChem (CID 78323119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).