6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine

C13H12Cl2N2O — CID 80882199

IUPAC6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H12Cl2N2O/c1-2-16-11-7-4-8-12(17-11)18-10-6-3-5-9(14)13(10)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyFZOJQIONYJXXFO-UHFFFAOYSA-N
MW283.16 g/mol
LogP4.61
Rot. Bonds4

About 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine

6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine (PubChem CID 80882199) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
PubChem CID80882199
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(Oc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C13H12Cl2N2O/c1-2-16-11-7-4-8-12(17-11)18-10-6-3-5-9(14)13(10)15/h3-8H,2H2,1H3,(H,16,17)
InChIKeyFZOJQIONYJXXFO-UHFFFAOYSA-N
XLogP4.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine (CID 80882199) is 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine is CCNc1cccc(Oc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine?
The InChIKey is FZOJQIONYJXXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c1-2-16-11-7-4-8-12(17-11)18-10-6-3-5-9(14)13(10)15/h3-8H,2H2,1H3,(H,16,17).
What are the key properties of 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine?
6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine has a molecular weight of 283.16 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenoxy)-N-ethylpyridin-2-amine is sourced from PubChem (CID 80882199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).