1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

C17H18FNOS — CID 105185849

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H18FNOS/c1-19-15(6-2-4-14-5-3-9-21-14)17-11-12-10-13(18)7-8-16(12)20-17/h3,5,7-11,15,19H,2,4,6H2,1H3
InChIKeyYIXOYYYSJCKJRM-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.92
Rot. Bonds6

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (PubChem CID 105185849) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
PubChem CID105185849
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
SMILESCNC(CCCc1cccs1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C17H18FNOS/c1-19-15(6-2-4-14-5-3-9-21-14)17-11-12-10-13(18)7-8-16(12)20-17/h3,5,7-11,15,19H,2,4,6H2,1H3
InChIKeyYIXOYYYSJCKJRM-UHFFFAOYSA-N
XLogP4.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-methylphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105170024
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 55012940
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105185778
1-(furan-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105146981
1-(5-fluoro-1-benzofuran-2-yl)-N,3-dimethylpentan-1-amine
CID 105046111
3-cyclohexyl-1-(5-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 105046030
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
1-(4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105095361
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
1-(3-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105144559
1-(2-fluoro-4-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 103397395
1-(3,5-dimethoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105168382

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine (CID 105185849) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is CNC(CCCc1cccs1)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
The InChIKey is YIXOYYYSJCKJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-19-15(6-2-4-14-5-3-9-21-14)17-11-12-10-13(18)7-8-16(12)20-17/h3,5,7-11,15,19H,2,4,6H2,1H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine has a molecular weight of 303.40 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-4-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 105185849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).