2,6-dichloro-N-(2-ethylphenyl)aniline

C14H13Cl2N — CID 11076363

IUPAC2,6-dichloro-N-(2-ethylphenyl)aniline
SMILESCCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2N/c1-2-10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16/h3-9,17H,2H2,1H3
InChIKeyWXQQYIHRTGHQNG-UHFFFAOYSA-N
MW266.17 g/mol
LogP5.30
Rot. Bonds3

About 2,6-dichloro-N-(2-ethylphenyl)aniline

2,6-dichloro-N-(2-ethylphenyl)aniline (PubChem CID 11076363) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-ethylphenyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-ethylphenyl)aniline
PubChem CID11076363
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2,6-dichloro-N-(2-ethylphenyl)aniline
SMILESCCc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H13Cl2N/c1-2-10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16/h3-9,17H,2H2,1H3
InChIKeyWXQQYIHRTGHQNG-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.17
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6-dichloro-N-(2-ethylphenyl)aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-ethylphenyl)aniline?
The IUPAC name of 2,6-dichloro-N-(2-ethylphenyl)aniline (CID 11076363) is 2,6-dichloro-N-(2-ethylphenyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(2-ethylphenyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(2-ethylphenyl)aniline is CCc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-ethylphenyl)aniline?
The InChIKey is WXQQYIHRTGHQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-2-10-6-3-4-9-13(10)17-14-11(15)7-5-8-12(14)16/h3-9,17H,2H2,1H3.
What are the key properties of 2,6-dichloro-N-(2-ethylphenyl)aniline?
2,6-dichloro-N-(2-ethylphenyl)aniline has a molecular weight of 266.17 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-ethylphenyl)aniline is sourced from PubChem (CID 11076363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).