N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H18F3N3O2 — CID 103148577

IUPACN-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C12H18F3N3O2/c1-3-16-9(4-7-20-8-12(13,14)15)10-11(19-2)18-6-5-17-10/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyIEYORLKPFGWQAI-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.10
Rot. Bonds8

About N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148577) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148577
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCNC(CCOCC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C12H18F3N3O2/c1-3-16-9(4-7-20-8-12(13,14)15)10-11(19-2)18-6-5-17-10/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyIEYORLKPFGWQAI-UHFFFAOYSA-N
XLogP2.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
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
3-(2,2-difluoroethoxy)-N-propyl-1-pyrazin-2-ylpropan-1-amine
CID 103149968
[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
1-(3,5-dimethoxypyrazin-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103216137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148577) is N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCNC(CCOCC(F)(F)F)c1nccnc1OC.
What is the InChIKey of N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is IEYORLKPFGWQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-3-16-9(4-7-20-8-12(13,14)15)10-11(19-2)18-6-5-17-10/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 293.29 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methoxypyrazin-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).