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

C20H18ClF3N4O — CID 58040027

IUPACN-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClF3N4O/c1-2-29-19-27-17(11-14-4-3-5-15(10-14)20(22,23)24)26-18(28-19)25-12-13-6-8-16(21)9-7-13/h3-10H,2,11-12H2,1H3,(H,25,26,27,28)
InChIKeyGLTSVGNGOJTEDH-UHFFFAOYSA-N
MW422.84 g/mol
LogP5.15
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (PubChem CID 58040027) has the molecular formula C20H18ClF3N4O and a molecular weight of 422.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
PubChem CID58040027
Molecular FormulaC20H18ClF3N4O
Molecular Weight422.84 g/mol
Exact Mass422.11
IUPAC NameN-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H18ClF3N4O/c1-2-29-19-27-17(11-14-4-3-5-15(10-14)20(22,23)24)26-18(28-19)25-12-13-6-8-16(21)9-7-13/h3-10H,2,11-12H2,1H3,(H,25,26,27,28)
InChIKeyGLTSVGNGOJTEDH-UHFFFAOYSA-N
XLogP5.15
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.84
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-4-methyl-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 15857808
N-[(4-chlorophenyl)methyl]-4-methyl-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazin-2-amine
CID 76316002
N-[(4-chlorophenyl)methyl]-4-methyl-6-propyl-1,3,5-triazin-2-amine
CID 76323344
N-[(4-chlorophenyl)methyl]-4-(fluoromethyl)-6-methyl-1,3,5-triazin-2-amine
CID 76330520
N-[(4-chlorophenyl)methyl]-4-(difluoromethyl)-6-methyl-1,3,5-triazin-2-amine
CID 76334107
2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 15544882
2-N-[(4-chlorophenyl)-cyclopropylmethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 15544883
2-N-[1-(4-chlorophenyl)ethyl]-6-(1,1,2,2,2-pentafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 22965410
2-N-[1-(4-chlorophenyl)ethyl]-6-(1,2,2,2-tetrafluoroethyl)-1,3,5-triazine-2,4-diamine
CID 22965412
2-N-[1-(4-chlorophenyl)ethyl]-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 22965413
2-N-[1-(4-chlorophenyl)ethyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
CID 22965414
2-N-[1-(4-chlorophenyl)ethyl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 22965419

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine (CID 58040027) is N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is CCOc1nc(Cc2cccc(C(F)(F)F)c2)nc(NCc2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
The InChIKey is GLTSVGNGOJTEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N4O/c1-2-29-19-27-17(11-14-4-3-5-15(10-14)20(22,23)24)26-18(28-19)25-12-13-6-8-16(21)9-7-13/h3-10H,2,11-12H2,1H3,(H,25,26,27,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine?
N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine has a molecular weight of 422.84 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-ethoxy-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 58040027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).