3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine

C12H18Cl2N2O — CID 102989506

IUPAC3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
SMILESCCCC(C)Oc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-4-6-8(3)17-12-10(14)7-9(13)11(16-12)15-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyQVNMSSCXHFQCDC-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.39
Rot. Bonds6

About 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine

3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine (PubChem CID 102989506) has the molecular formula C12H18Cl2N2O and a molecular weight of 277.19 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
PubChem CID102989506
Molecular FormulaC12H18Cl2N2O
Molecular Weight277.19 g/mol
Exact Mass276.08
IUPAC Name3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
SMILESCCCC(C)Oc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C12H18Cl2N2O/c1-4-6-8(3)17-12-10(14)7-9(13)11(16-12)15-5-2/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyQVNMSSCXHFQCDC-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichloro-6-pentan-2-yloxy-2-pyridinyl)hydrazine
CID 102989713
3,5-dichloro-6-(3-methylbutan-2-yloxy)-N-propylpyridin-2-amine
CID 102761074
3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 102760377
3,5-dichloro-6-(1-ethoxypropan-2-yloxy)-N-propylpyridin-2-amine
CID 103491550
6-butan-2-ylsulfanyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 102761307
5-chloro-4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989311
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
CID 106028744
[3,5-dichloro-6-(4-methylpentan-2-yloxy)-2-pyridinyl]hydrazine
CID 102762740
[3,5-dichloro-6-(1-ethoxypropan-2-yloxy)-2-pyridinyl]hydrazine
CID 103491803

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine (CID 102989506) is 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine is CCCC(C)Oc1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine?
The InChIKey is QVNMSSCXHFQCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-4-6-8(3)17-12-10(14)7-9(13)11(16-12)15-5-2/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine?
3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine has a molecular weight of 277.19 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine is sourced from PubChem (CID 102989506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).