2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine

C15H19N3O — CID 105138578

IUPAC2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine
SMILESNC(CC1CCOCC1)c1cccc2nccnc12
InChIInChI=1S/C15H19N3O/c16-13(10-11-4-8-19-9-5-11)12-2-1-3-14-15(12)18-7-6-17-14/h1-3,6-7,11,13H,4-5,8-10,16H2
InChIKeyZJFVWUPIYLLIRT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.45
Rot. Bonds3

About 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine

2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine (PubChem CID 105138578) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine
PubChem CID105138578
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine
SMILESNC(CC1CCOCC1)c1cccc2nccnc12
InChIInChI=1S/C15H19N3O/c16-13(10-11-4-8-19-9-5-11)12-2-1-3-14-15(12)18-7-6-17-14/h1-3,6-7,11,13H,4-5,8-10,16H2
InChIKeyZJFVWUPIYLLIRT-UHFFFAOYSA-N
XLogP2.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-quinoxalin-5-ylethanamine
CID 105135471
[oxan-4-yl(quinoxalin-5-yl)methyl]hydrazine
CID 105306260
2-cyclopropyl-1-quinolin-5-ylethanamine
CID 79015948
[oxolan-3-yl(quinoxalin-5-yl)methyl]hydrazine
CID 105306587
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
cycloheptyl(quinoxalin-5-yl)methanol
CID 105122139
1-cyclopropyl-N-methyl-1-quinoxalin-5-ylmethanamine
CID 105157235
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
(1R)-1-(2-bromo-3-pyridinyl)-2-cyclopropylethanamine
CID 130699495
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine?
The IUPAC name of 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine (CID 105138578) is 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine?
The canonical SMILES for 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine is NC(CC1CCOCC1)c1cccc2nccnc12.
What is the InChIKey of 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine?
The InChIKey is ZJFVWUPIYLLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13(10-11-4-8-19-9-5-11)12-2-1-3-14-15(12)18-7-6-17-14/h1-3,6-7,11,13H,4-5,8-10,16H2.
What are the key properties of 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine?
2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 105138578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).