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

C11H16F3N3O2 — CID 103216150

IUPACN-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C11H16F3N3O2/c1-3-15-8(6-19-7-11(12,13)14)9-10(18-2)17-5-4-16-9/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyHUZHXEMBXDANBN-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.71
Rot. Bonds7

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

N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103216150) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103216150
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCCNC(COCC(F)(F)F)c1nccnc1OC
InChIInChI=1S/C11H16F3N3O2/c1-3-15-8(6-19-7-11(12,13)14)9-10(18-2)17-5-4-16-9/h4-5,8,15H,3,6-7H2,1-2H3
InChIKeyHUZHXEMBXDANBN-UHFFFAOYSA-N
XLogP1.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methoxypyrazin-2-yl)ethan-1-amine
CID 119094858
1-(6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)ethanamine hydrochloride
CID 89875210
2-ethoxy-3-[2-(trifluoromethyl)-1H-pyrazin-2-yl]pyrazine
CID 173928607
1-[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 89875211
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
N-ethyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215347
N-methyl-1-pyrazin-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103216150) is N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine is CCNC(COCC(F)(F)F)c1nccnc1OC.
What is the InChIKey of N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is HUZHXEMBXDANBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-3-15-8(6-19-7-11(12,13)14)9-10(18-2)17-5-4-16-9/h4-5,8,15H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine?
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 279.26 g/mol, XLogP of 1.71, 7 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)-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103216150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).