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

C24H21F3N4O — CID 58039310

IUPAC4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2cccc3ccccc23)n1
InChIInChI=1S/C24H21F3N4O/c1-2-32-23-30-21(14-16-7-5-11-19(13-16)24(25,26)27)29-22(31-23)28-15-18-10-6-9-17-8-3-4-12-20(17)18/h3-13H,2,14-15H2,1H3,(H,28,29,30,31)
InChIKeyAFDBKYZCQXJOMG-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.65
Rot. Bonds7

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

4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58039310) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58039310
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2cccc3ccccc23)n1
InChIInChI=1S/C24H21F3N4O/c1-2-32-23-30-21(14-16-7-5-11-19(13-16)24(25,26)27)29-22(31-23)28-15-18-10-6-9-17-8-3-4-12-20(17)18/h3-13H,2,14-15H2,1H3,(H,28,29,30,31)
InChIKeyAFDBKYZCQXJOMG-UHFFFAOYSA-N
XLogP5.65
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58039310) is 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2cccc3ccccc23)n1.
What is the InChIKey of 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is AFDBKYZCQXJOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-2-32-23-30-21(14-16-7-5-11-19(13-16)24(25,26)27)29-22(31-23)28-15-18-10-6-9-17-8-3-4-12-20(17)18/h3-13H,2,14-15H2,1H3,(H,28,29,30,31).
What are the key properties of 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 438.45 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58039310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).