2,4-dichloro-3-ethyl-N-methylaniline

C9H11Cl2N — CID 176957200

IUPAC2,4-dichloro-3-ethyl-N-methylaniline
SMILESCCc1c(Cl)ccc(NC)c1Cl
InChIInChI=1S/C9H11Cl2N/c1-3-6-7(10)4-5-8(12-2)9(6)11/h4-5,12H,3H2,1-2H3
InChIKeyCHMKZMYYPXXYSC-UHFFFAOYSA-N
MW204.10 g/mol
LogP3.60
Rot. Bonds2

About 2,4-dichloro-3-ethyl-N-methylaniline

2,4-dichloro-3-ethyl-N-methylaniline (PubChem CID 176957200) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 2,4-dichloro-3-ethyl-N-methylaniline.

Molecular Properties

Compound Name2,4-dichloro-3-ethyl-N-methylaniline
PubChem CID176957200
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name2,4-dichloro-3-ethyl-N-methylaniline
SMILESCCc1c(Cl)ccc(NC)c1Cl
InChIInChI=1S/C9H11Cl2N/c1-3-6-7(10)4-5-8(12-2)9(6)11/h4-5,12H,3H2,1-2H3
InChIKeyCHMKZMYYPXXYSC-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-ethyl-N-methylaniline?
The IUPAC name of 2,4-dichloro-3-ethyl-N-methylaniline (CID 176957200) is 2,4-dichloro-3-ethyl-N-methylaniline.
What is the SMILES notation for 2,4-dichloro-3-ethyl-N-methylaniline?
The canonical SMILES for 2,4-dichloro-3-ethyl-N-methylaniline is CCc1c(Cl)ccc(NC)c1Cl.
What is the InChIKey of 2,4-dichloro-3-ethyl-N-methylaniline?
The InChIKey is CHMKZMYYPXXYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c1-3-6-7(10)4-5-8(12-2)9(6)11/h4-5,12H,3H2,1-2H3.
What are the key properties of 2,4-dichloro-3-ethyl-N-methylaniline?
2,4-dichloro-3-ethyl-N-methylaniline has a molecular weight of 204.10 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-ethyl-N-methylaniline is sourced from PubChem (CID 176957200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).