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

C16H16FNOS — CID 105137498

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H16FNOS/c1-10-13-8-12(17)3-4-15(13)19-16(10)14(18-2)7-11-5-6-20-9-11/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyDDAWZUXKSOWBCG-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.45
Rot. Bonds4

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

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 105137498) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID105137498
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C16H16FNOS/c1-10-13-8-12(17)3-4-15(13)19-16(10)14(18-2)7-11-5-6-20-9-11/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyDDAWZUXKSOWBCG-UHFFFAOYSA-N
XLogP4.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105158996
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 105113810
2-cyclobutyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 105151601
[1-(5-fluoro-1-benzofuran-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105338710
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butylhydrazine
CID 105282165
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)butan-1-amine
CID 105080133
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 105134166
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323650
[1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-3-methylpentyl]hydrazine
CID 105298446
N-ethyl-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)but-3-yn-1-amine
CID 105077210
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-propylhexan-1-amine
CID 105129790

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine (CID 105137498) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1oc2ccc(F)cc2c1C.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is DDAWZUXKSOWBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-10-13-8-12(17)3-4-15(13)19-16(10)14(18-2)7-11-5-6-20-9-11/h3-6,8-9,14,18H,7H2,1-2H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 289.38 g/mol, XLogP of 4.45, 4 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)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 105137498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).