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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Related Compounds

N-benzyl-4-chloroaniline
CID 76281
(E)-4-(2-chloro-6-fluorostyryl)-N-methylaniline
CID 57521314
N-(3-Chloro-P-tolyl)-4-methylbenzylamine
CID 292905
N-(4-Chlorophenyl)-4-methylbenzylamine
CID 292568
MAT2A inhibitor 4
CID 60141313
(E)-4-(2,6-dichlorostyryl)-N,N-dimethylaniline
CID 60141314
(3,5-Dichloro-Phenyl)-(2,4,6-Trimethyl-Phenyl)-Amine
CID 71562077
4-[2-(2-chloro-6-fluorophenyl)ethynyl]-N,N-dimethylaniline
CID 91938021
4-[2-(2-chlorophenyl)ethynyl]-N,N-dimethylaniline
CID 102218944
4-[2-(2,6-dichlorophenyl)ethynyl]-N,N-dimethylaniline
CID 118387961
(E)-4-(2-(4-Chlorophenyl)ethenyl)benzenamine, N,N-dimethyl-
CID 5463467
Phenethylamine, 2-chloro-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 3043609

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).