4-(1-chloro-2-phenylethenyl)-N-methylaniline

C15H14ClN — CID 54059464

IUPAC4-(1-chloro-2-phenylethenyl)-N-methylaniline
SMILESCNc1ccc(C(Cl)=Cc2ccccc2)cc1
InChIInChI=1S/C15H14ClN/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-11,17H,1H3
InChIKeyLYPYQHOEJYNAJP-UHFFFAOYSA-N
MW243.74 g/mol
LogP4.47
Rot. Bonds3

About 4-(1-chloro-2-phenylethenyl)-N-methylaniline

4-(1-chloro-2-phenylethenyl)-N-methylaniline (PubChem CID 54059464) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 4-(1-chloro-2-phenylethenyl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-chloro-2-phenylethenyl)-N-methylaniline
PubChem CID54059464
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name4-(1-chloro-2-phenylethenyl)-N-methylaniline
SMILESCNc1ccc(C(Cl)=Cc2ccccc2)cc1
InChIInChI=1S/C15H14ClN/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-11,17H,1H3
InChIKeyLYPYQHOEJYNAJP-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 54.47
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

1-[(Z)-1-chloro-2-phenylethenyl]-4-methylbenzene
CID 15417412
N-methyl-4-(2-methylprop-1-enyl)aniline
CID 54423846
CID 157283458
CID 157283458
4-[(Z)-1-amino-2-hydrazinylethenyl]-N-methylaniline;benzaldehyde;ethane
CID 142476509
methyl 4-[[(Z)-2-chloro-3-phenylprop-2-enoyl]amino]benzoate
CID 884962
2-(1-chloro-2-phenylethenyl)pyrimidine
CID 175308372
2-chloro-N-(3,4-dimethylphenyl)-3-phenylprop-2-enamide
CID 686992
N-[(E)-1-chloro-2-phenylethenyl]-N-methylaniline
CID 132574216
4-[3-deuterio-2-(deuteriomethyl)prop-1-enyl]-N-methylaniline;ethane
CID 162180413
magnesium;hydride;N-methylaniline;hydrobromide
CID 173230530
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
(Z)-1-methoxy-2-phenylethenethiol
CID 12543362

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-2-phenylethenyl)-N-methylaniline?
The IUPAC name of 4-(1-chloro-2-phenylethenyl)-N-methylaniline (CID 54059464) is 4-(1-chloro-2-phenylethenyl)-N-methylaniline.
What is the SMILES notation for 4-(1-chloro-2-phenylethenyl)-N-methylaniline?
The canonical SMILES for 4-(1-chloro-2-phenylethenyl)-N-methylaniline is CNc1ccc(C(Cl)=Cc2ccccc2)cc1.
What is the InChIKey of 4-(1-chloro-2-phenylethenyl)-N-methylaniline?
The InChIKey is LYPYQHOEJYNAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-11,17H,1H3.
What are the key properties of 4-(1-chloro-2-phenylethenyl)-N-methylaniline?
4-(1-chloro-2-phenylethenyl)-N-methylaniline has a molecular weight of 243.74 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-2-phenylethenyl)-N-methylaniline is sourced from PubChem (CID 54059464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).