1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine

C18H20FN3O — CID 119044004

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
SMILESCc1nccnc1C(C)NC(C)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H20FN3O/c1-10-15-9-14(19)5-6-16(15)23-18(10)13(4)22-12(3)17-11(2)20-7-8-21-17/h5-9,12-13,22H,1-4H3
InChIKeyNQPBLLCMERHWRJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine (PubChem CID 119044004) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
PubChem CID119044004
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
SMILESCc1nccnc1C(C)NC(C)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H20FN3O/c1-10-15-9-14(19)5-6-16(15)23-18(10)13(4)22-12(3)17-11(2)20-7-8-21-17/h5-9,12-13,22H,1-4H3
InChIKeyNQPBLLCMERHWRJ-UHFFFAOYSA-N
XLogP4.39
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine (CID 119044004) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine is Cc1nccnc1C(C)NC(C)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The InChIKey is NQPBLLCMERHWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-10-15-9-14(19)5-6-16(15)23-18(10)13(4)22-12(3)17-11(2)20-7-8-21-17/h5-9,12-13,22H,1-4H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine has a molecular weight of 313.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 119044004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).