3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine

C13H20Cl2N2O2 — CID 106669249

IUPAC3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
SMILESCCNc1nc(OCCC(C)(C)OC)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2/c1-5-16-11-9(14)8-10(15)12(17-11)19-7-6-13(2,3)18-4/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyWKJOSPPPMVJONE-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.01
Rot. Bonds7

About 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine

3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine (PubChem CID 106669249) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
PubChem CID106669249
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
SMILESCCNc1nc(OCCC(C)(C)OC)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O2/c1-5-16-11-9(14)8-10(15)12(17-11)19-7-6-13(2,3)18-4/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyWKJOSPPPMVJONE-UHFFFAOYSA-N
XLogP4.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
CID 106665577
3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
CID 102761118
6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
CID 106795649
3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-6-(2-cyclopropylethoxy)-N-propylpyridin-2-amine
CID 106207557
3,5-dichloro-N-ethyl-6-(oxan-4-ylmethoxy)pyridin-2-amine
CID 102760933
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine
CID 106665556

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine (CID 106669249) is 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine is CCNc1nc(OCCC(C)(C)OC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine?
The InChIKey is WKJOSPPPMVJONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2/c1-5-16-11-9(14)8-10(15)12(17-11)19-7-6-13(2,3)18-4/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine?
3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine has a molecular weight of 307.22 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine is sourced from PubChem (CID 106669249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).