1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine

C13H15N3O — CID 117052240

IUPAC1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2cnccn2)cc1
InChIInChI=1S/C13H15N3O/c1-10(14)11-2-4-13(5-3-11)17-9-12-8-15-6-7-16-12/h2-8,10H,9,14H2,1H3
InChIKeyZAUCMGDADRSCJK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.08
Rot. Bonds4

About 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine

1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine (PubChem CID 117052240) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
PubChem CID117052240
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OCc2cnccn2)cc1
InChIInChI=1S/C13H15N3O/c1-10(14)11-2-4-13(5-3-11)17-9-12-8-15-6-7-16-12/h2-8,10H,9,14H2,1H3
InChIKeyZAUCMGDADRSCJK-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
(1R)-1-[4-(pyridin-4-ylmethoxy)phenyl]ethanamine
CID 30072177
(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
N-methyl-1-[4-(pyrazin-2-ylmethoxy)phenyl]methanamine
CID 106486252
(1S)-1-[4-[(5-bromo-3-pyridinyl)methoxy]phenyl]ethanamine
CID 113454075
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
1-[4-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 55170164
(1S)-1-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 28973753
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
ethane;(1S)-1-[4-(phenoxymethyl)phenyl]ethanamine
CID 154659540

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine (CID 117052240) is 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine is CC(N)c1ccc(OCc2cnccn2)cc1.
What is the InChIKey of 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine?
The InChIKey is ZAUCMGDADRSCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10(14)11-2-4-13(5-3-11)17-9-12-8-15-6-7-16-12/h2-8,10H,9,14H2,1H3.
What are the key properties of 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine?
1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine has a molecular weight of 229.28 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrazin-2-ylmethoxy)phenyl]ethanamine is sourced from PubChem (CID 117052240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).