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

C15H18FN3O — CID 104516215

IUPACN-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)c(-c2nccnc2OC)c1
InChIInChI=1S/C15H18FN3O/c1-4-17-10(2)11-5-6-13(16)12(9-11)14-15(20-3)19-8-7-18-14/h5-10,17H,4H2,1-3H3
InChIKeyYOTJURCINRRABT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.96
Rot. Bonds5

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

N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine (PubChem CID 104516215) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
PubChem CID104516215
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)c(-c2nccnc2OC)c1
InChIInChI=1S/C15H18FN3O/c1-4-17-10(2)11-5-6-13(16)12(9-11)14-15(20-3)19-8-7-18-14/h5-10,17H,4H2,1-3H3
InChIKeyYOTJURCINRRABT-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine (CID 104516215) is N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine is CCNC(C)c1ccc(F)c(-c2nccnc2OC)c1.
What is the InChIKey of N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
The InChIKey is YOTJURCINRRABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-17-10(2)11-5-6-13(16)12(9-11)14-15(20-3)19-8-7-18-14/h5-10,17H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine?
N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 104516215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).