4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine

C15H18F3N3 — CID 105156277

IUPAC4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cccc2nccnc12
InChIInChI=1S/C15H18F3N3/c1-2-8-19-12(6-7-15(16,17)18)11-4-3-5-13-14(11)21-10-9-20-13/h3-5,9-10,12,19H,2,6-8H2,1H3
InChIKeyLLWAJQOAPDAYCJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.01
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine

4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine (PubChem CID 105156277) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
PubChem CID105156277
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1cccc2nccnc12
InChIInChI=1S/C15H18F3N3/c1-2-8-19-12(6-7-15(16,17)18)11-4-3-5-13-14(11)21-10-9-20-13/h3-5,9-10,12,19H,2,6-8H2,1H3
InChIKeyLLWAJQOAPDAYCJ-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
4,4,4-trifluoro-1-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103136036
N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
5,5,5-trifluoro-1-(2-fluorophenyl)-N-propylpentan-1-amine
CID 115516684
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
4,4,4-trifluoro-1-(3-methyl-2-pyridinyl)-N-propylbutan-1-amine
CID 64566396
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024003
N-ethyl-3-methylsulfonyl-1-quinoxalin-5-ylpropan-1-amine
CID 114984120
4-methoxy-N,4-dimethyl-1-quinoxalin-5-ylpentan-1-amine
CID 103032278
N-[(2-methylpyrazol-3-yl)-quinoxalin-5-ylmethyl]propan-1-amine
CID 105148549
N-ethyl-1-quinoxalin-5-ylbut-3-yn-1-amine
CID 105077278

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine (CID 105156277) is 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine is CCCNC(CCC(F)(F)F)c1cccc2nccnc12.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine?
The InChIKey is LLWAJQOAPDAYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-8-19-12(6-7-15(16,17)18)11-4-3-5-13-14(11)21-10-9-20-13/h3-5,9-10,12,19H,2,6-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine?
4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-quinoxalin-5-ylbutan-1-amine is sourced from PubChem (CID 105156277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).