N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine

C16H11ClF3N3 — CID 171682062

IUPACN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine
SMILESFC(F)(F)c1ccc(Cl)c(CNc2cccc3nccnc23)c1
InChIInChI=1S/C16H11ClF3N3/c17-12-5-4-11(16(18,19)20)8-10(12)9-23-14-3-1-2-13-15(14)22-7-6-21-13/h1-8,23H,9H2
InChIKeyODDUEOFTKKXYJF-UHFFFAOYSA-N
MW337.73 g/mol
LogP4.91
Rot. Bonds3

About N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine

N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine (PubChem CID 171682062) has the molecular formula C16H11ClF3N3 and a molecular weight of 337.73 g/mol. Its IUPAC name is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine.

Molecular Properties

Compound NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine
PubChem CID171682062
Molecular FormulaC16H11ClF3N3
Molecular Weight337.73 g/mol
Exact Mass337.06
IUPAC NameN-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine
SMILESFC(F)(F)c1ccc(Cl)c(CNc2cccc3nccnc23)c1
InChIInChI=1S/C16H11ClF3N3/c17-12-5-4-11(16(18,19)20)8-10(12)9-23-14-3-1-2-13-15(14)22-7-6-21-13/h1-8,23H,9H2
InChIKeyODDUEOFTKKXYJF-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.73
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine?
The IUPAC name of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine (CID 171682062) is N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine.
What is the SMILES notation for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine?
The canonical SMILES for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine is FC(F)(F)c1ccc(Cl)c(CNc2cccc3nccnc23)c1.
What is the InChIKey of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine?
The InChIKey is ODDUEOFTKKXYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3/c17-12-5-4-11(16(18,19)20)8-10(12)9-23-14-3-1-2-13-15(14)22-7-6-21-13/h1-8,23H,9H2.
What are the key properties of N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine?
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine has a molecular weight of 337.73 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]quinoxalin-5-amine is sourced from PubChem (CID 171682062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).