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

C19H17F3N4O — CID 58039466

IUPAC4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C19H17F3N4O/c1-3-27-18-25-16(13-7-4-6-12(2)10-13)24-17(26-18)23-15-9-5-8-14(11-15)19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26)
InChIKeySROUTKCCJOEZLW-UHFFFAOYSA-N
MW374.37 g/mol
LogP5.01
Rot. Bonds5

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

4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 58039466) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID58039466
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C)c2)n1
InChIInChI=1S/C19H17F3N4O/c1-3-27-18-25-16(13-7-4-6-12(2)10-13)24-17(26-18)23-15-9-5-8-14(11-15)19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26)
InChIKeySROUTKCCJOEZLW-UHFFFAOYSA-N
XLogP5.01
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine (CID 58039466) is 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is CCOc1nc(Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(C)c2)n1.
What is the InChIKey of 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is SROUTKCCJOEZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-3-27-18-25-16(13-7-4-6-12(2)10-13)24-17(26-18)23-15-9-5-8-14(11-15)19(20,21)22/h4-11H,3H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine?
4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 374.37 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(3-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).