4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine

C11H9ClF2N4O — CID 80876402

IUPAC4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-2-15-10-16-9(12)17-11(18-10)19-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3,(H,15,16,17,18)
InChIKeyLNBMNEHRJXGTAQ-UHFFFAOYSA-N
MW286.67 g/mol
LogP3.03
Rot. Bonds4

About 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80876402) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80876402
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2cc(F)ccc2F)n1
InChIInChI=1S/C11H9ClF2N4O/c1-2-15-10-16-9(12)17-11(18-10)19-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3,(H,15,16,17,18)
InChIKeyLNBMNEHRJXGTAQ-UHFFFAOYSA-N
XLogP3.03
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102989134
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
6-(5-bromo-2-fluorophenoxy)-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 114677283
6-chloro-2-N-(2-chloro-5-fluorophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107531871
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80804455
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80870824
4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879645
5-(2,5-difluorophenoxy)-N-ethylpyridin-3-amine
CID 104536808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine (CID 80876402) is 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2cc(F)ccc2F)n1.
What is the InChIKey of 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is LNBMNEHRJXGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c1-2-15-10-16-9(12)17-11(18-10)19-8-5-6(13)3-4-7(8)14/h3-5H,2H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 286.67 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80876402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).