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

C13H21F2N3O3 — CID 103216136

IUPAC3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C13H21F2N3O3/c1-4-16-9(5-6-21-8-10(14)15)12-13(20-3)18-11(19-2)7-17-12/h7,9-10,16H,4-6,8H2,1-3H3
InChIKeyBQBDZVNCUKNJAU-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.82
Rot. Bonds10

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

3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine (PubChem CID 103216136) has the molecular formula C13H21F2N3O3 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
PubChem CID103216136
Molecular FormulaC13H21F2N3O3
Molecular Weight305.32 g/mol
Exact Mass305.16
IUPAC Name3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine
SMILESCCNC(CCOCC(F)F)c1ncc(OC)nc1OC
InChIInChI=1S/C13H21F2N3O3/c1-4-16-9(5-6-21-8-10(14)15)12-13(20-3)18-11(19-2)7-17-12/h7,9-10,16H,4-6,8H2,1-3H3
InChIKeyBQBDZVNCUKNJAU-UHFFFAOYSA-N
XLogP1.82
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.82
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

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
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-(2,2,2-trifluoroethoxy)ethanamine
CID 103216138

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine (CID 103216136) is 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine is CCNC(CCOCC(F)F)c1ncc(OC)nc1OC.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine?
The InChIKey is BQBDZVNCUKNJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O3/c1-4-16-9(5-6-21-8-10(14)15)12-13(20-3)18-11(19-2)7-17-12/h7,9-10,16H,4-6,8H2,1-3H3.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine?
3-(2,2-difluoroethoxy)-1-(3,5-dimethoxypyrazin-2-yl)-N-ethylpropan-1-amine has a molecular weight of 305.32 g/mol, XLogP of 1.82, 10 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-ethylpropan-1-amine is sourced from PubChem (CID 103216136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).