3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine

C15H16Cl2N2 — CID 102753209

IUPAC3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine
SMILESCCNc1nc(-c2cc(C)ccc2C)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-4-18-15-13(17)8-12(16)14(19-15)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyIYJCYZXWNBBSLE-UHFFFAOYSA-N
MW295.21 g/mol
LogP5.10
Rot. Bonds3

About 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine

3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine (PubChem CID 102753209) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine
PubChem CID102753209
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine
SMILESCCNc1nc(-c2cc(C)ccc2C)c(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2/c1-4-18-15-13(17)8-12(16)14(19-15)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,18,19)
InChIKeyIYJCYZXWNBBSLE-UHFFFAOYSA-N
XLogP5.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.21
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine (CID 102753209) is 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine is CCNc1nc(-c2cc(C)ccc2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine?
The InChIKey is IYJCYZXWNBBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-4-18-15-13(17)8-12(16)14(19-15)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,18,19).
What are the key properties of 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine?
3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine has a molecular weight of 295.21 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(2,5-dimethylphenyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 102753209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).