4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane

C16H19Cl3N4O2 — CID 143041901

IUPAC4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane
SMILESCC.Cc1cc(Cl)cc(Cl)c1Oc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H13Cl3N4O2.C2H6/c1-8-6-9(15)7-10(16)11(8)23-14-19-12(17)18-13(20-14)21-2-4-22-5-3-21;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyCPTNRRFKEASUKL-UHFFFAOYSA-N
MW405.71 g/mol
LogP4.80
Rot. Bonds3

About 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane

4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane (PubChem CID 143041901) has the molecular formula C16H19Cl3N4O2 and a molecular weight of 405.71 g/mol. Its IUPAC name is 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane.

Molecular Properties

Compound Name4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane
PubChem CID143041901
Molecular FormulaC16H19Cl3N4O2
Molecular Weight405.71 g/mol
Exact Mass404.06
IUPAC Name4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane
SMILESCC.Cc1cc(Cl)cc(Cl)c1Oc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C14H13Cl3N4O2.C2H6/c1-8-6-9(15)7-10(16)11(8)23-14-19-12(17)18-13(20-14)21-2-4-22-5-3-21;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyCPTNRRFKEASUKL-UHFFFAOYSA-N
XLogP4.80
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.71
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane with MolForge

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Related Compounds

2-(4-Chloro-2-cyclohexylphenoxy)-4,6-di-4-morpholinyl-1,3,5-triazine
CID 2947090
4-chloro-6-(4-chloro-2-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 15569241
4-[4-Methyl-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 22640342
N-(4,6-bis(dimethylamino)-1,3,5-triazin-2-yl)-N-(2-(2,4-dichlorophenoxy)ethyl)cyanamide
CID 1920316
N-[(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 4023493
N-[(Z)-(3,5-dichloro-2-methoxyphenyl)methylideneamino]-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 5989865
2-[(2E)-2-(3,5-dichloro-2-methoxybenzylidene)hydrazinyl]-4,6-di(morpholin-4-yl)-1,3,5-triazine
CID 9643341
4-[4-(2-Chlorophenoxy)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 17388308
4-chloro-6-(2-chloro-4-methylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868301
4-[4-Chloro-6-(2-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 62869284
4-[4-Chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 86038830
2-{4-[2-(4-Chloro-2-methylphenoxy)ethyl]piperazin-1-YL}-1,3,5-triazine
CID 91767021

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane?
The IUPAC name of 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane (CID 143041901) is 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane.
What is the SMILES notation for 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane?
The canonical SMILES for 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane is CC.Cc1cc(Cl)cc(Cl)c1Oc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane?
The InChIKey is CPTNRRFKEASUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N4O2.C2H6/c1-8-6-9(15)7-10(16)11(8)23-14-19-12(17)18-13(20-14)21-2-4-22-5-3-21;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane?
4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane has a molecular weight of 405.71 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(2,4-dichloro-6-methylphenoxy)-1,3,5-triazin-2-yl]morpholine;ethane is sourced from PubChem (CID 143041901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).