2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline

C15H10F3N3 — CID 62809285

IUPAC2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H10F3N3/c16-9-5-11(17)15(18)14(6-9)20-8-10-7-19-12-3-1-2-4-13(12)21-10/h1-7,20H,8H2
InChIKeyMIJRPPJXJOTDFI-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.66
Rot. Bonds3

About 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline

2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline (PubChem CID 62809285) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
PubChem CID62809285
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline
SMILESFc1cc(F)c(F)c(NCc2cnc3ccccc3n2)c1
InChIInChI=1S/C15H10F3N3/c16-9-5-11(17)15(18)14(6-9)20-8-10-7-19-12-3-1-2-4-13(12)21-10/h1-7,20H,8H2
InChIKeyMIJRPPJXJOTDFI-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43759066
2,5-dibromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43789270
2,5-dimethyl-N-(quinoxalin-2-ylmethyl)aniline
CID 43765885
2,3,5-trifluoro-N-(naphthalen-1-ylmethyl)aniline
CID 63476657
4-bromo-N-(quinoxalin-2-ylmethyl)aniline
CID 43762731
N-[(3,4-dichlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55193721
2,3,5-trifluoro-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82866486
2,3,5-trifluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 55119019
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
1-(3-fluorophenyl)-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43770212
2,3,5-trifluoro-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64772172

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline?
The IUPAC name of 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline (CID 62809285) is 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline.
What is the SMILES notation for 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline?
The canonical SMILES for 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline is Fc1cc(F)c(F)c(NCc2cnc3ccccc3n2)c1.
What is the InChIKey of 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline?
The InChIKey is MIJRPPJXJOTDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-9-5-11(17)15(18)14(6-9)20-8-10-7-19-12-3-1-2-4-13(12)21-10/h1-7,20H,8H2.
What are the key properties of 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline?
2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline has a molecular weight of 289.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-N-(quinoxalin-2-ylmethyl)aniline is sourced from PubChem (CID 62809285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).