4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

C24H19F3N4O2 — CID 58039840

IUPAC4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H19F3N4O2/c1-2-32-23-30-21(16-11-13-20(14-12-16)33-19-9-4-3-5-10-19)29-22(31-23)28-18-8-6-7-17(15-18)24(25,26)27/h3-15H,2H2,1H3,(H,28,29,30,31)
InChIKeyIQRLQDLQTBWIKM-UHFFFAOYSA-N
MW452.44 g/mol
LogP6.49
Rot. Bonds7

About 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine

4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 58039840) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID58039840
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H19F3N4O2/c1-2-32-23-30-21(16-11-13-20(14-12-16)33-19-9-4-3-5-10-19)29-22(31-23)28-18-8-6-7-17(15-18)24(25,26)27/h3-15H,2H2,1H3,(H,28,29,30,31)
InChIKeyIQRLQDLQTBWIKM-UHFFFAOYSA-N
XLogP6.49
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 58039840) is 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is IQRLQDLQTBWIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-2-32-23-30-21(16-11-13-20(14-12-16)33-19-9-4-3-5-10-19)29-22(31-23)28-18-8-6-7-17(15-18)24(25,26)27/h3-15H,2H2,1H3,(H,28,29,30,31).
What are the key properties of 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 452.44 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-phenoxyphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).