4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C14H15F3N4O — CID 162601130

IUPAC4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(C)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N4O/c1-9-3-5-11(6-4-9)7-18-12-19-10(2)20-13(21-12)22-8-14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyFLPYVBLRTMCCDY-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.04
Rot. Bonds5

About 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 162601130) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID162601130
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(C)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C14H15F3N4O/c1-9-3-5-11(6-4-9)7-18-12-19-10(2)20-13(21-12)22-8-14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,19,20,21)
InChIKeyFLPYVBLRTMCCDY-UHFFFAOYSA-N
XLogP3.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 162601130) is 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is Cc1ccc(CNc2nc(C)nc(OCC(F)(F)F)n2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is FLPYVBLRTMCCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9-3-5-11(6-4-9)7-18-12-19-10(2)20-13(21-12)22-8-14(15,16)17/h3-6H,7-8H2,1-2H3,(H,18,19,20,21).
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 312.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162601130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).