2,4-dichloro-N-ethylaniline;hydrochloride

C8H10Cl3N — CID 68627905

IUPAC2,4-dichloro-N-ethylaniline;hydrochloride
SMILESCCNc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C8H9Cl2N.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H
InChIKeyNEXWKJDDLAHJNX-UHFFFAOYSA-N
MW226.53 g/mol
LogP3.85
Rot. Bonds2

About 2,4-dichloro-N-ethylaniline;hydrochloride

2,4-dichloro-N-ethylaniline;hydrochloride (PubChem CID 68627905) has the molecular formula C8H10Cl3N and a molecular weight of 226.53 g/mol. Its IUPAC name is 2,4-dichloro-N-ethylaniline;hydrochloride.

Molecular Properties

Compound Name2,4-dichloro-N-ethylaniline;hydrochloride
PubChem CID68627905
Molecular FormulaC8H10Cl3N
Molecular Weight226.53 g/mol
Exact Mass224.99
IUPAC Name2,4-dichloro-N-ethylaniline;hydrochloride
SMILESCCNc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C8H9Cl2N.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H
InChIKeyNEXWKJDDLAHJNX-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.53
LogP ≤ 53.85
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;hydrochloride?
The IUPAC name of 2,4-dichloro-N-ethylaniline;hydrochloride (CID 68627905) is 2,4-dichloro-N-ethylaniline;hydrochloride.
What is the SMILES notation for 2,4-dichloro-N-ethylaniline;hydrochloride?
The canonical SMILES for 2,4-dichloro-N-ethylaniline;hydrochloride is CCNc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 2,4-dichloro-N-ethylaniline;hydrochloride?
The InChIKey is NEXWKJDDLAHJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H.
What are the key properties of 2,4-dichloro-N-ethylaniline;hydrochloride?
2,4-dichloro-N-ethylaniline;hydrochloride has a molecular weight of 226.53 g/mol, XLogP of 3.85, 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;hydrochloride is sourced from PubChem (CID 68627905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).