5-[(2-ethylphenoxy)methyl]pyrazin-2-amine

C13H15N3O — CID 103058694

IUPAC5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
SMILESCCc1ccccc1OCc1cnc(N)cn1
InChIInChI=1S/C13H15N3O/c1-2-10-5-3-4-6-12(10)17-9-11-7-16-13(14)8-15-11/h3-8H,2,9H2,1H3,(H2,14,16)
InChIKeyHFXIUZWFIXQTIZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.20
Rot. Bonds4

About 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine

5-[(2-ethylphenoxy)methyl]pyrazin-2-amine (PubChem CID 103058694) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
PubChem CID103058694
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name5-[(2-ethylphenoxy)methyl]pyrazin-2-amine
SMILESCCc1ccccc1OCc1cnc(N)cn1
InChIInChI=1S/C13H15N3O/c1-2-10-5-3-4-6-12(10)17-9-11-7-16-13(14)8-15-11/h3-8H,2,9H2,1H3,(H2,14,16)
InChIKeyHFXIUZWFIXQTIZ-UHFFFAOYSA-N
XLogP2.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-ethylphenoxy)pyrazin-2-amine
CID 80663708
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
3-[(2-ethylphenoxy)methyl]-5-methyl-1,2-oxazole
CID 60673786
1-ethyl-2-[(4-ethylphenyl)methoxy]benzene
CID 64764755
1-(2,2-dimethoxyethoxy)-2-ethylbenzene
CID 66223177
5-(propoxymethyl)pyrazin-2-amine
CID 103058721
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
4-[(2-ethylphenoxy)methyl]-1,2-oxazole
CID 61223505
[2-[(5-chloropyrazin-2-yl)methoxy]phenyl]methanol
CID 103054859
4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206
[2-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 82037246
[2-[(2-ethylphenoxy)methyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82440456

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine?
The IUPAC name of 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine (CID 103058694) is 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine.
What is the SMILES notation for 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine?
The canonical SMILES for 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine is CCc1ccccc1OCc1cnc(N)cn1.
What is the InChIKey of 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine?
The InChIKey is HFXIUZWFIXQTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-10-5-3-4-6-12(10)17-9-11-7-16-13(14)8-15-11/h3-8H,2,9H2,1H3,(H2,14,16).
What are the key properties of 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine?
5-[(2-ethylphenoxy)methyl]pyrazin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenoxy)methyl]pyrazin-2-amine is sourced from PubChem (CID 103058694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).