3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine

C12H19F2N3O3 — CID 103216140

IUPAC3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C12H19F2N3O3/c1-15-8(4-5-20-7-9(13)14)11-12(19-3)17-10(18-2)6-16-11/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeySXGVNCTZOHBJPS-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.43
Rot. Bonds9

About 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine

3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine (PubChem CID 103216140) has the molecular formula C12H19F2N3O3 and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
PubChem CID103216140
Molecular FormulaC12H19F2N3O3
Molecular Weight291.30 g/mol
Exact Mass291.14
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C12H19F2N3O3/c1-15-8(4-5-20-7-9(13)14)11-12(19-3)17-10(18-2)6-16-11/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeySXGVNCTZOHBJPS-UHFFFAOYSA-N
XLogP1.43
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137
1-(3,5-dimethoxypyrazin-2-yl)-2-methoxy-N-methylethanamine
CID 105178224
[1-(3,5-dimethoxypyrazin-2-yl)-3-propoxypropyl]hydrazine
CID 105332275
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-propoxyethanamine
CID 107946650
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-2-methylsulfonylethanamine
CID 105030844
1-(3,5-dimethoxypyrazin-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 105031280
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105178278
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
1-(3,5-dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
3-(2,2-difluoroethoxy)-1-(4-methoxy-2-methylphenyl)-N-methylpropan-1-amine
CID 103149230
1-(3,5-dimethoxypyrazin-2-yl)-2,2-difluoroethanamine
CID 103517039

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine (CID 103216140) is 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine is CNC(CCOCC(F)F)c1ncc(OC)nc1OC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine?
The InChIKey is SXGVNCTZOHBJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O3/c1-15-8(4-5-20-7-9(13)14)11-12(19-3)17-10(18-2)6-16-11/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine has a molecular weight of 291.30 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103216140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).