2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine

C13H14ClN3O2 — CID 62859372

IUPAC2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(CC)cc2)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-9-5-7-10(8-6-9)19-13-16-11(14)15-12(17-13)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyBAXKEZLMIJEDFL-UHFFFAOYSA-N
MW279.73 g/mol
LogP3.28
Rot. Bonds5

About 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine

2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine (PubChem CID 62859372) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
PubChem CID62859372
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(CC)cc2)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-9-5-7-10(8-6-9)19-13-16-11(14)15-12(17-13)18-4-2/h5-8H,3-4H2,1-2H3
InChIKeyBAXKEZLMIJEDFL-UHFFFAOYSA-N
XLogP3.28
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115492564
2-chloro-4-(4-chloro-3-ethylphenoxy)-6-ethoxy-1,3,5-triazine
CID 62859376
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
4-chloro-6-(4-ethoxyphenoxy)-1,3,5-triazin-2-amine
CID 80863190
2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
CID 62859033
2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
CID 58039547
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
CID 21413010
2-[4-[3,5-bis[4-[(4-butoxy-6-chloro-1,3,5-triazin-2-yl)oxy]phenyl]phenyl]phenoxy]-4-butoxy-6-chloro-1,3,5-triazine
CID 51355816
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine (CID 62859372) is 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine is CCOc1nc(Cl)nc(Oc2ccc(CC)cc2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine?
The InChIKey is BAXKEZLMIJEDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-9-5-7-10(8-6-9)19-13-16-11(14)15-12(17-13)18-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine has a molecular weight of 279.73 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(4-ethylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 62859372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).