2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine

C16H21N3O2 — CID 63969018

IUPAC2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1ccc(OC)c(OC)c1)c1cnccn1
InChIInChI=1S/C16H21N3O2/c1-4-18-13(14-11-17-7-8-19-14)9-12-5-6-15(20-2)16(10-12)21-3/h5-8,10-11,13,18H,4,9H2,1-3H3
InChIKeyIZJHLRUGSLMWAJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine

2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 63969018) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID63969018
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1ccc(OC)c(OC)c1)c1cnccn1
InChIInChI=1S/C16H21N3O2/c1-4-18-13(14-11-17-7-8-19-14)9-12-5-6-15(20-2)16(10-12)21-3/h5-8,10-11,13,18H,4,9H2,1-3H3
InChIKeyIZJHLRUGSLMWAJ-UHFFFAOYSA-N
XLogP2.39
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethyl]propan-1-amine
CID 62601550
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 54910869
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(3-bromo-4-methoxyphenyl)-N-ethyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 63840247
2-(3-fluoro-4-methoxyphenyl)-1-pyrazin-2-ylethanol
CID 55096330
2-(3,4-dimethoxyphenyl)-N-methyl-1-pyridin-3-ylethanamine
CID 60924306
2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-ethyl-2-(3-methoxyphenyl)-1-pyridin-2-ylethanamine
CID 62600523
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105122153
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860499

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine (CID 63969018) is 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(Cc1ccc(OC)c(OC)c1)c1cnccn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is IZJHLRUGSLMWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-18-13(14-11-17-7-8-19-14)9-12-5-6-15(20-2)16(10-12)21-3/h5-8,10-11,13,18H,4,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 63969018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).