(5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

C16H16FNOS — CID 63068557

IUPAC(5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2oc3cc(F)ccc3c2C)s1
InChIInChI=1S/C16H16FNOS/c1-3-11-5-7-14(20-11)15(18)16-9(2)12-6-4-10(17)8-13(12)19-16/h4-8,15H,3,18H2,1-2H3
InChIKeyHOZRLJNJKIDPEM-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.55
Rot. Bonds3

About (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine

(5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 63068557) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID63068557
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name(5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2oc3cc(F)ccc3c2C)s1
InChIInChI=1S/C16H16FNOS/c1-3-11-5-7-14(20-11)15(18)16-9(2)12-6-4-10(17)8-13(12)19-16/h4-8,15H,3,18H2,1-2H3
InChIKeyHOZRLJNJKIDPEM-UHFFFAOYSA-N
XLogP4.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine (CID 63068557) is (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is CCc1ccc(C(N)c2oc3cc(F)ccc3c2C)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is HOZRLJNJKIDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-3-11-5-7-14(20-11)15(18)16-9(2)12-6-4-10(17)8-13(12)19-16/h4-8,15H,3,18H2,1-2H3.
What are the key properties of (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine?
(5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 289.38 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 63068557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).