4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline

C14H12Cl3N — CID 70952158

IUPAC4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
SMILESCCc1cc(Cl)ccc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N/c1-2-9-7-10(15)3-5-13(9)18-14-6-4-11(16)8-12(14)17/h3-8,18H,2H2,1H3
InChIKeySKQRVYKVXHOGME-UHFFFAOYSA-N
MW300.62 g/mol
LogP5.95
Rot. Bonds3

About 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline

4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline (PubChem CID 70952158) has the molecular formula C14H12Cl3N and a molecular weight of 300.62 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline.

Molecular Properties

Compound Name4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
PubChem CID70952158
Molecular FormulaC14H12Cl3N
Molecular Weight300.62 g/mol
Exact Mass299.00
IUPAC Name4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline
SMILESCCc1cc(Cl)ccc1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N/c1-2-9-7-10(15)3-5-13(9)18-14-6-4-11(16)8-12(14)17/h3-8,18H,2H2,1H3
InChIKeySKQRVYKVXHOGME-UHFFFAOYSA-N
XLogP5.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.62
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-N-(2,4-dichlorophenyl)-3-N-(2-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964133
2-(4-bromo-2-ethylanilino)-5-chlorobenzonitrile
CID 81292836
N-(2,4-dichlorophenyl)propanamide
CID 923083
2,4-dichloro-N-methylaniline
CID 2800935
4-chloro-2-N-(2-ethylphenyl)benzene-1,2-diamine
CID 115468565
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
5-amino-N-(2,4-dichlorophenyl)-2-ethylbenzenesulfonamide
CID 43256364
N,2,4-trichloroaniline
CID 134879862
2-(2,4-dichloroanilino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109267339
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113050804
2,4-dichloro-N-(2-ethylbutyl)aniline
CID 28521288
2-N-(2,4-dichlorophenyl)propane-1,2-diamine
CID 103387065

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline?
The IUPAC name of 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline (CID 70952158) is 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline.
What is the SMILES notation for 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline?
The canonical SMILES for 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline is CCc1cc(Cl)ccc1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline?
The InChIKey is SKQRVYKVXHOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N/c1-2-9-7-10(15)3-5-13(9)18-14-6-4-11(16)8-12(14)17/h3-8,18H,2H2,1H3.
What are the key properties of 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline?
4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline has a molecular weight of 300.62 g/mol, XLogP of 5.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dichlorophenyl)-2-ethylaniline is sourced from PubChem (CID 70952158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).