2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

C15H18ClN3O2 — CID 105178614

IUPAC2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1nccnc1OC
InChIInChI=1S/C15H18ClN3O2/c1-3-17-13(14-15(20-2)19-9-8-18-14)10-21-12-6-4-11(16)5-7-12/h4-9,13,17H,3,10H2,1-2H3
InChIKeyKUTLWQZTNGKQKU-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.87
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine

2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (PubChem CID 105178614) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
PubChem CID105178614
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
SMILESCCNC(COc1ccc(Cl)cc1)c1nccnc1OC
InChIInChI=1S/C15H18ClN3O2/c1-3-17-13(14-15(20-2)19-9-8-18-14)10-21-12-6-4-11(16)5-7-12/h4-9,13,17H,3,10H2,1-2H3
InChIKeyKUTLWQZTNGKQKU-UHFFFAOYSA-N
XLogP2.87
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-chlorophenoxy)-1-(3-methoxypyrazin-2-yl)ethyl]hydrazine
CID 105332615
2-(4-chlorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515341
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498
2-(2-chloro-6-fluorophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515541
N-ethyl-4-methoxy-1-(3-methoxypyrazin-2-yl)pentan-1-amine
CID 105178647
2-(4-bromophenyl)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515324
2-tert-butylsulfanyl-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 104515656
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
2-(4-chlorophenoxy)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 105143838
2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103537
3-cyclopentyl-N-ethyl-1-(3-methoxypyrazin-2-yl)propan-1-amine
CID 105032011
1-(3-methoxypyrazin-2-yl)-N-methylpropan-1-amine
CID 104515370

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine (CID 105178614) is 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is CCNC(COc1ccc(Cl)cc1)c1nccnc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
The InChIKey is KUTLWQZTNGKQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-17-13(14-15(20-2)19-9-8-18-14)10-21-12-6-4-11(16)5-7-12/h4-9,13,17H,3,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine?
2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine has a molecular weight of 307.78 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine is sourced from PubChem (CID 105178614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).