4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine

C14H19N3O — CID 115626675

IUPAC4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine
SMILESCNC(CCCOC)c1ccc2nccnc2c1
InChIInChI=1S/C14H19N3O/c1-15-12(4-3-9-18-2)11-5-6-13-14(10-11)17-8-7-16-13/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyPWUZHVPYFCSKOX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.32
Rot. Bonds6

About 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine

4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine (PubChem CID 115626675) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine
PubChem CID115626675
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine
SMILESCNC(CCCOC)c1ccc2nccnc2c1
InChIInChI=1S/C14H19N3O/c1-15-12(4-3-9-18-2)11-5-6-13-14(10-11)17-8-7-16-13/h5-8,10,12,15H,3-4,9H2,1-2H3
InChIKeyPWUZHVPYFCSKOX-UHFFFAOYSA-N
XLogP2.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
1-(4-bromo-3-methylphenyl)-4-methoxy-N-methylbutan-1-amine
CID 105055012
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
N-methyl-4-(oxolan-2-yl)-1-quinoxalin-6-ylbutan-1-amine
CID 65164718
1-(3-chloro-4-iodophenyl)-4-methoxy-N-methylbutan-1-amine
CID 103216498
(4-methoxy-4-methyl-1-quinoxalin-6-ylpentyl)hydrazine
CID 103026296
4-methoxy-1-quinolin-6-ylbutan-1-amine
CID 78924718
N,N'-dimethyl-1-(1-methylbenzimidazol-5-yl)butane-1,4-diamine
CID 116949485
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-N-methylpropan-1-amine
CID 55115956
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
CID 114857319
1-(4-fluorophenyl)-N-methyl-1-quinoxalin-6-ylmethanamine
CID 62850785

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine (CID 115626675) is 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine is CNC(CCCOC)c1ccc2nccnc2c1.
What is the InChIKey of 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine?
The InChIKey is PWUZHVPYFCSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-12(4-3-9-18-2)11-5-6-13-14(10-11)17-8-7-16-13/h5-8,10,12,15H,3-4,9H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine?
4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-quinoxalin-6-ylbutan-1-amine is sourced from PubChem (CID 115626675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).