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

C14H16FN3O — CID 104516199

IUPAC1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2nccnc2OC)c1
InChIInChI=1S/C14H16FN3O/c1-9(16-2)10-4-5-12(15)11(8-10)13-14(19-3)18-7-6-17-13/h4-9,16H,1-3H3
InChIKeyBIEINULHVXBSNB-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.57
Rot. Bonds4

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

1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine (PubChem CID 104516199) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine
PubChem CID104516199
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(F)c(-c2nccnc2OC)c1
InChIInChI=1S/C14H16FN3O/c1-9(16-2)10-4-5-12(15)11(8-10)13-14(19-3)18-7-6-17-13/h4-9,16H,1-3H3
InChIKeyBIEINULHVXBSNB-UHFFFAOYSA-N
XLogP2.57
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.57
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]-N-methylethanamine?
The IUPAC name of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine (CID 104516199) is 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine is CNC(C)c1ccc(F)c(-c2nccnc2OC)c1.
What is the InChIKey of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine?
The InChIKey is BIEINULHVXBSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9(16-2)10-4-5-12(15)11(8-10)13-14(19-3)18-7-6-17-13/h4-9,16H,1-3H3.
What are the key properties of 1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine?
1-[4-fluoro-3-(3-methoxypyrazin-2-yl)phenyl]-N-methylethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.57, 4 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]-N-methylethanamine is sourced from PubChem (CID 104516199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).