[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine

C13H15N3O — CID 104516233

IUPAC[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
SMILESCOc1nccnc1-c1cc(C)ccc1CN
InChIInChI=1S/C13H15N3O/c1-9-3-4-10(8-14)11(7-9)12-13(17-2)16-6-5-15-12/h3-7H,8,14H2,1-2H3
InChIKeyVURQQLHILCWXLH-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.92
Rot. Bonds3

About [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine

[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine (PubChem CID 104516233) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
PubChem CID104516233
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine
SMILESCOc1nccnc1-c1cc(C)ccc1CN
InChIInChI=1S/C13H15N3O/c1-9-3-4-10(8-14)11(7-9)12-13(17-2)16-6-5-15-12/h3-7H,8,14H2,1-2H3
InChIKeyVURQQLHILCWXLH-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxypyrazin-2-yl)-4-methylphenol
CID 136919797
[2-(2-methoxy-3,4-dimethylphenyl)-4-methylphenyl]methanamine
CID 103434113
2-(3-methoxypyrazin-2-yl)aniline
CID 104516148
N-[[4-chloro-2-(3-methoxypyrazin-2-yl)phenyl]methyl]propan-1-amine
CID 104516244
(2-methoxy-3-pyridinyl)methanamine;hydrochloride
CID 71627038
[2-(2,4-dimethylphenyl)-4-methoxyphenyl]methanamine
CID 141455779
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
4-(3-methoxypyrazin-2-yl)-2-methylaniline
CID 104516164
[3-(2-methoxy-5-methylphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 82474858
(2-methoxy-4-methyl-3-pyridinyl)methanamine
CID 78992169
[2-(2-bromo-4-methylphenoxy)-3-pyridinyl]methanamine
CID 43528676

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine?
The IUPAC name of [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine (CID 104516233) is [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine is COc1nccnc1-c1cc(C)ccc1CN.
What is the InChIKey of [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine?
The InChIKey is VURQQLHILCWXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-3-4-10(8-14)11(7-9)12-13(17-2)16-6-5-15-12/h3-7H,8,14H2,1-2H3.
What are the key properties of [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine?
[2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine has a molecular weight of 229.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypyrazin-2-yl)-4-methylphenyl]methanamine is sourced from PubChem (CID 104516233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).