2,4-dichloro-N-ethylaniline

C8H9Cl2N — CID 13344593

IUPAC2,4-dichloro-N-ethylaniline
SMILESCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyXPCHQESFRULWBG-UHFFFAOYSA-N
MW190.07 g/mol
LogP3.43
Rot. Bonds2

About 2,4-dichloro-N-ethylaniline

2,4-dichloro-N-ethylaniline (PubChem CID 13344593) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,4-dichloro-N-ethylaniline.

Molecular Properties

Compound Name2,4-dichloro-N-ethylaniline
PubChem CID13344593
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name2,4-dichloro-N-ethylaniline
SMILESCCNc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2N/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3
InChIKeyXPCHQESFRULWBG-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-ethylaniline?
The IUPAC name of 2,4-dichloro-N-ethylaniline (CID 13344593) is 2,4-dichloro-N-ethylaniline.
What is the SMILES notation for 2,4-dichloro-N-ethylaniline?
The canonical SMILES for 2,4-dichloro-N-ethylaniline is CCNc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-ethylaniline?
The InChIKey is XPCHQESFRULWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3.
What are the key properties of 2,4-dichloro-N-ethylaniline?
2,4-dichloro-N-ethylaniline has a molecular weight of 190.07 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-ethylaniline is sourced from PubChem (CID 13344593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).