4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C23H29F3N4O — CID 162299294

IUPAC4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(CC3CCC4CCCC4C3)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C23H29F3N4O/c1-15-5-7-16(8-6-15)13-27-21-28-20(29-22(30-21)31-14-23(24,25)26)12-17-9-10-18-3-2-4-19(18)11-17/h5-8,17-19H,2-4,9-14H2,1H3,(H,27,28,29,30)
InChIKeyHIQHZHRJEILIGB-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.49
Rot. Bonds7

About 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 162299294) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID162299294
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC Name4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(CNc2nc(CC3CCC4CCCC4C3)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C23H29F3N4O/c1-15-5-7-16(8-6-15)13-27-21-28-20(29-22(30-21)31-14-23(24,25)26)12-17-9-10-18-3-2-4-19(18)11-17/h5-8,17-19H,2-4,9-14H2,1H3,(H,27,28,29,30)
InChIKeyHIQHZHRJEILIGB-UHFFFAOYSA-N
XLogP5.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

Indaziflam
CID 44146693
N2-[(1R,2S)-2,3-Dihydro-2,6-dimethyl-1H-inden-1-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
CID 11962742
N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 58590448
6-[(1R)-1-fluoroethyl]-2-N-[(1R)-6-methyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
CID 11496767
6-(difluoromethyl)-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-1,3,5-triazine-2,4-diamine
CID 44137351
4-benzyl-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 44198552
4-ethoxy-N-(naphthalen-1-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039310
4-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039355
4-[(3,4-dimethylphenyl)methyl]-6-ethoxy-N-[(4-fluorophenyl)methyl]-1,3,5-triazin-2-amine
CID 58039443
N-[(4-fluorophenyl)methyl]-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58039488
4-ethoxy-N-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039628
4-ethoxy-N-[(4-fluorophenyl)methyl]-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58040319

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 162299294) is 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is Cc1ccc(CNc2nc(CC3CCC4CCCC4C3)nc(OCC(F)(F)F)n2)cc1.
What is the InChIKey of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is HIQHZHRJEILIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c1-15-5-7-16(8-6-15)13-27-21-28-20(29-22(30-21)31-14-23(24,25)26)12-17-9-10-18-3-2-4-19(18)11-17/h5-8,17-19H,2-4,9-14H2,1H3,(H,27,28,29,30).
What are the key properties of 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 434.51 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-N-[(4-methylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 162299294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).