1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine

C15H19N3O3 — CID 105030849

IUPAC1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ncc(OC)nc2OC)c1
InChIInChI=1S/C15H19N3O3/c1-19-11-6-4-5-10(7-11)8-12(16)14-15(21-3)18-13(20-2)9-17-14/h4-7,9,12H,8,16H2,1-3H3
InChIKeyLUYJQWJLVHHXLI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.74
Rot. Bonds6

About 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine

1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine (PubChem CID 105030849) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
PubChem CID105030849
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CC(N)c2ncc(OC)nc2OC)c1
InChIInChI=1S/C15H19N3O3/c1-19-11-6-4-5-10(7-11)8-12(16)14-15(21-3)18-13(20-2)9-17-14/h4-7,9,12H,8,16H2,1-3H3
InChIKeyLUYJQWJLVHHXLI-UHFFFAOYSA-N
XLogP1.74
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 105178270
2-(3-methoxyphenyl)-1-pyrimidin-2-ylethanamine
CID 62600114
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
2-(3-methoxyphenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155644
1-(3,5-dimethoxypyrazin-2-yl)-2-propoxyethanamine
CID 107946647
2-(3-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299530
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
[(3,5-dimethoxypyrazin-2-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105332206
1-(3,5-dimethoxypyrazin-2-yl)-3,3,3-trifluoropropan-1-amine
CID 114983788
1-(3,5-dimethoxypyrazin-2-yl)-4-thiophen-2-ylbutan-1-amine
CID 105178245
2-(3-fluorophenyl)-1-(3-methoxypyrazin-2-yl)ethanamine
CID 113421578
2-(3-methoxyphenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43110626

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine (CID 105030849) is 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine is COc1cccc(CC(N)c2ncc(OC)nc2OC)c1.
What is the InChIKey of 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine?
The InChIKey is LUYJQWJLVHHXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-11-6-4-5-10(7-11)8-12(16)14-15(21-3)18-13(20-2)9-17-14/h4-7,9,12H,8,16H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine?
1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine has a molecular weight of 289.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxypyrazin-2-yl)-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 105030849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).