4-chloro-5-(2-chlorophenyl)-2-ethylaniline

C14H13Cl2N — CID 90462567

IUPAC4-chloro-5-(2-chlorophenyl)-2-ethylaniline
SMILESCCc1cc(Cl)c(-c2ccccc2Cl)cc1N
InChIInChI=1S/C14H13Cl2N/c1-2-9-7-13(16)11(8-14(9)17)10-5-3-4-6-12(10)15/h3-8H,2,17H2,1H3
InChIKeyPNLYOADOPDRHSE-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.80
Rot. Bonds2

About 4-chloro-5-(2-chlorophenyl)-2-ethylaniline

4-chloro-5-(2-chlorophenyl)-2-ethylaniline (PubChem CID 90462567) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 4-chloro-5-(2-chlorophenyl)-2-ethylaniline.

Molecular Properties

Compound Name4-chloro-5-(2-chlorophenyl)-2-ethylaniline
PubChem CID90462567
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name4-chloro-5-(2-chlorophenyl)-2-ethylaniline
SMILESCCc1cc(Cl)c(-c2ccccc2Cl)cc1N
InChIInChI=1S/C14H13Cl2N/c1-2-9-7-13(16)11(8-14(9)17)10-5-3-4-6-12(10)15/h3-8H,2,17H2,1H3
InChIKeyPNLYOADOPDRHSE-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-5-(2-chlorophenyl)-2-ethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-amino-2-chloro-5-ethylphenyl)methyl]-5-chloro-2-ethylaniline
CID 66658670
5-bromo-4-chloro-2-ethylaniline
CID 123680032
4-chloro-2-ethylnaphthalen-1-amine
CID 166071062
5-(2-chlorophenyl)-6-ethylpyridin-2-amine
CID 155778431
2-(4,5-diamino-2-chlorophenyl)phenol
CID 153360343
2-(2-chlorophenyl)benzene-1,4-diamine
CID 18371389
4-[9-(4-amino-2,5-diethylphenyl)fluoren-9-yl]-2,5-diethylaniline
CID 18624396
3-(2-chlorophenyl)-5-methylthiophen-2-amine
CID 57040129
5-(2-chlorophenyl)-2-ethylpyrimidin-4-amine
CID 62899049
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
2-[2-(2-chlorophenyl)phenyl]acetamide
CID 46212314
2-(5-amino-2-chloro-4-cyanophenyl)benzamide
CID 145170414

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chlorophenyl)-2-ethylaniline?
The IUPAC name of 4-chloro-5-(2-chlorophenyl)-2-ethylaniline (CID 90462567) is 4-chloro-5-(2-chlorophenyl)-2-ethylaniline.
What is the SMILES notation for 4-chloro-5-(2-chlorophenyl)-2-ethylaniline?
The canonical SMILES for 4-chloro-5-(2-chlorophenyl)-2-ethylaniline is CCc1cc(Cl)c(-c2ccccc2Cl)cc1N.
What is the InChIKey of 4-chloro-5-(2-chlorophenyl)-2-ethylaniline?
The InChIKey is PNLYOADOPDRHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-2-9-7-13(16)11(8-14(9)17)10-5-3-4-6-12(10)15/h3-8H,2,17H2,1H3.
What are the key properties of 4-chloro-5-(2-chlorophenyl)-2-ethylaniline?
4-chloro-5-(2-chlorophenyl)-2-ethylaniline has a molecular weight of 266.17 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chlorophenyl)-2-ethylaniline is sourced from PubChem (CID 90462567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).