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

C11H17F2N3O3 — CID 103216143

IUPAC3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine
SMILESCOc1cnc(C(N)CCOCC(F)F)c(OC)n1
InChIInChI=1S/C11H17F2N3O3/c1-17-9-5-15-10(11(16-9)18-2)7(14)3-4-19-6-8(12)13/h5,7-8H,3-4,6,14H2,1-2H3
InChIKeyXFCAUUVTBYDFOO-UHFFFAOYSA-N
MW277.27 g/mol
LogP1.17
Rot. Bonds8

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

3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine (PubChem CID 103216143) has the molecular formula C11H17F2N3O3 and a molecular weight of 277.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine
PubChem CID103216143
Molecular FormulaC11H17F2N3O3
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine
SMILESCOc1cnc(C(N)CCOCC(F)F)c(OC)n1
InChIInChI=1S/C11H17F2N3O3/c1-17-9-5-15-10(11(16-9)18-2)7(14)3-4-19-6-8(12)13/h5,7-8H,3-4,6,14H2,1-2H3
InChIKeyXFCAUUVTBYDFOO-UHFFFAOYSA-N
XLogP1.17
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-Difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-ol
CID 103147696
1-(3-methoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148360
N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148577
1-(3-methoxypyrazin-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148740
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 103149316
3-(2,2-difluoroethoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 103149654
3-(2,2-difluoroethoxy)-1-(3-methoxypyrazin-2-yl)-N-propylpropan-1-amine
CID 103149941
[1-(3-Methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151435
[3-(2,2-Difluoroethoxy)-1-(3-methoxypyrazin-2-yl)propyl]hydrazine
CID 103151753
1-(3,5-Dimethoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216134
1-(3,5-dimethoxypyrazin-2-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216135
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
CID 103216136

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine (CID 103216143) is 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine is COc1cnc(C(N)CCOCC(F)F)c(OC)n1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine?
The InChIKey is XFCAUUVTBYDFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O3/c1-17-9-5-15-10(11(16-9)18-2)7(14)3-4-19-6-8(12)13/h5,7-8H,3-4,6,14H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)propan-1-amine has a molecular weight of 277.27 g/mol, XLogP of 1.17, 8 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)propan-1-amine is sourced from PubChem (CID 103216143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).