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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Related Compounds

1-[[2-(2-methylpropyl)-1,3-benzothiazol-6-yl]oxy]butan-2-amine
CID 82189930
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
2-chloro-6-ethoxy-3-methylquinoxaline
CID 133062262
1-(4-ethylphenoxy)butan-2-amine
CID 62038281
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
1-(3-propan-2-ylphenoxy)butan-2-amine
CID 62039542
2,3-dimethyl-6-(piperidin-4-ylmethoxy)quinoxaline
CID 82189775
1-quinolin-6-yloxypropan-2-amine
CID 86262441
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
1-[4-(1,3-benzothiazol-2-ylmethyl)phenoxy]butan-2-amine
CID 71198623
1-[(5-propan-2-yl-3-pyridinyl)oxy]butan-2-amine
CID 59849562

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).