4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine

C11H9Cl2FN4O — CID 113399790

IUPAC4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F
InChIInChI=1S/C11H9Cl2FN4O/c1-2-19-8-4-3-6(5-7(8)14)15-11-17-9(12)16-10(13)18-11/h3-5H,2H2,1H3,(H,15,16,17,18)
InChIKeyCQLZZVTXUJVBOV-UHFFFAOYSA-N
MW303.12 g/mol
LogP3.46
Rot. Bonds4

About 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 113399790) has the molecular formula C11H9Cl2FN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID113399790
Molecular FormulaC11H9Cl2FN4O
Molecular Weight303.12 g/mol
Exact Mass302.01
IUPAC Name4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F
InChIInChI=1S/C11H9Cl2FN4O/c1-2-19-8-4-3-6(5-7(8)14)15-11-17-9(12)16-10(13)18-11/h3-5H,2H2,1H3,(H,15,16,17,18)
InChIKeyCQLZZVTXUJVBOV-UHFFFAOYSA-N
XLogP3.46
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-ethoxy-3-fluorophenyl)pyrimidin-4-amine
CID 112699315
4,6-dichloro-N-(4-chloro-3-fluorophenyl)-1,3,5-triazin-2-amine
CID 62870784
N-(chloromethyl)-4-ethoxy-3-fluoroaniline
CID 115262696
N-(2-chloroethyl)-4-ethoxy-3-fluoroaniline
CID 115214595
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
4-ethoxy-N-ethyl-3-fluoroaniline
CID 82490729
5-N-(4-ethoxy-3-fluorophenyl)pyridine-2,5-diamine
CID 113399696
6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
N-(4-ethoxy-3-fluorophenyl)-1,4-dimethylimidazol-2-amine
CID 106579931
4-chloro-N-(4-fluoro-3-methoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 114840485
5-N-(4-ethoxy-3-fluorophenyl)-3-N-ethylpyridine-3,5-diamine
CID 104535772

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine (CID 113399790) is 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine is CCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1F.
What is the InChIKey of 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is CQLZZVTXUJVBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN4O/c1-2-19-8-4-3-6(5-7(8)14)15-11-17-9(12)16-10(13)18-11/h3-5H,2H2,1H3,(H,15,16,17,18).
What are the key properties of 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 303.12 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-ethoxy-3-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 113399790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).