1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine

C13H14FN3O — CID 104516214

IUPAC1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
SMILESCOc1nccnc1-c1cc(C(C)N)ccc1F
InChIInChI=1S/C13H14FN3O/c1-8(15)9-3-4-11(14)10(7-9)12-13(18-2)17-6-5-16-12/h3-8H,15H2,1-2H3
InChIKeyCHRMOKACPRWHCL-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.31
Rot. Bonds3

About 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine

1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine (PubChem CID 104516214) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
PubChem CID104516214
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
SMILESCOc1nccnc1-c1cc(C(C)N)ccc1F
InChIInChI=1S/C13H14FN3O/c1-8(15)9-3-4-11(14)10(7-9)12-13(18-2)17-6-5-16-12/h3-8H,15H2,1-2H3
InChIKeyCHRMOKACPRWHCL-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine (CID 104516214) is 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine is COc1nccnc1-c1cc(C(C)N)ccc1F.
What is the InChIKey of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
The InChIKey is CHRMOKACPRWHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8(15)9-3-4-11(14)10(7-9)12-13(18-2)17-6-5-16-12/h3-8H,15H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine has a molecular weight of 247.27 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 104516214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).