1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine

C14H19N3O — CID 82189771

IUPAC1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine
SMILESCCC(N)COc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C14H19N3O/c1-4-11(15)8-18-12-5-6-13-14(7-12)17-10(3)9(2)16-13/h5-7,11H,4,8,15H2,1-3H3
InChIKeyOIFPRVYZBNGDFX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.36
Rot. Bonds4

About 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine

1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine (PubChem CID 82189771) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine
PubChem CID82189771
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine
SMILESCCC(N)COc1ccc2nc(C)c(C)nc2c1
InChIInChI=1S/C14H19N3O/c1-4-11(15)8-18-12-5-6-13-14(7-12)17-10(3)9(2)16-13/h5-7,11H,4,8,15H2,1-3H3
InChIKeyOIFPRVYZBNGDFX-UHFFFAOYSA-N
XLogP2.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine (CID 82189771) is 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine is CCC(N)COc1ccc2nc(C)c(C)nc2c1.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine?
The InChIKey is OIFPRVYZBNGDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11(15)8-18-12-5-6-13-14(7-12)17-10(3)9(2)16-13/h5-7,11H,4,8,15H2,1-3H3.
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine?
1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)oxybutan-2-amine is sourced from PubChem (CID 82189771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).