1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine

C15H19N3O — CID 71861048

IUPAC1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCOc1cccc(C(C)N(C)Cc2cnccn2)c1
InChIInChI=1S/C15H19N3O/c1-12(13-5-4-6-15(9-13)19-3)18(2)11-14-10-16-7-8-17-14/h4-10,12H,11H2,1-3H3
InChIKeyGSXXEGUSYWVFOS-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine

1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 71861048) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID71861048
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCOc1cccc(C(C)N(C)Cc2cnccn2)c1
InChIInChI=1S/C15H19N3O/c1-12(13-5-4-6-15(9-13)19-3)18(2)11-14-10-16-7-8-17-14/h4-10,12H,11H2,1-3H3
InChIKeyGSXXEGUSYWVFOS-UHFFFAOYSA-N
XLogP2.68
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 135099317
6-[[1-(3-methoxyphenyl)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 91762891
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 90651685
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylethanamine
CID 126792532
(1S)-N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-nitrophenyl)ethanamine
CID 27119840
2-(3-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084082
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(1S)-N-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42189949
1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
(1R)-N-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylethanamine
CID 42510011
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine (CID 71861048) is 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine is COc1cccc(C(C)N(C)Cc2cnccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is GSXXEGUSYWVFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(13-5-4-6-15(9-13)19-3)18(2)11-14-10-16-7-8-17-14/h4-10,12H,11H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine?
1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 71861048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).