1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine

C15H14FNOS — CID 105134166

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESCc1c(C(N)Cc2cccs2)oc2ccc(F)cc12
InChIInChI=1S/C15H14FNOS/c1-9-12-7-10(16)4-5-14(12)18-15(9)13(17)8-11-3-2-6-19-11/h2-7,13H,8,17H2,1H3
InChIKeyKNDMSVZCNCXIKQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.18
Rot. Bonds3

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 105134166) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
PubChem CID105134166
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
SMILESCc1c(C(N)Cc2cccs2)oc2ccc(F)cc12
InChIInChI=1S/C15H14FNOS/c1-9-12-7-10(16)4-5-14(12)18-15(9)13(17)8-11-3-2-6-19-11/h2-7,13H,8,17H2,1H3
InChIKeyKNDMSVZCNCXIKQ-UHFFFAOYSA-N
XLogP4.18
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 105139486
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
CID 105160602
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-methylphenyl)ethanol
CID 105078061
1-(5-fluoro-2-methoxyphenyl)-2-thiophen-2-ylethanamine
CID 82769620
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
CID 105112954
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
CID 105137498
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
CID 110824379
2-(3-chlorophenyl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanol
CID 105076751
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine (CID 105134166) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine is Cc1c(C(N)Cc2cccs2)oc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is KNDMSVZCNCXIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-9-12-7-10(16)4-5-14(12)18-15(9)13(17)8-11-3-2-6-19-11/h2-7,13H,8,17H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 275.35 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 105134166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).