2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine

C15H13BrFNOS — CID 105139486

IUPAC2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(N)Cc2sccc2Br)oc2ccc(F)cc12
InChIInChI=1S/C15H13BrFNOS/c1-8-10-6-9(17)2-3-13(10)19-15(8)12(18)7-14-11(16)4-5-20-14/h2-6,12H,7,18H2,1H3
InChIKeyBKOXSPBTAOONQQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.95
Rot. Bonds3

About 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine

2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 105139486) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID105139486
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(N)Cc2sccc2Br)oc2ccc(F)cc12
InChIInChI=1S/C15H13BrFNOS/c1-8-10-6-9(17)2-3-13(10)19-15(8)12(18)7-14-11(16)4-5-20-14/h2-6,12H,7,18H2,1H3
InChIKeyBKOXSPBTAOONQQ-UHFFFAOYSA-N
XLogP4.95
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-thiophen-2-ylethanamine
CID 105134166
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 105092745
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-pyridin-4-ylethanamine
CID 105160602
(5-fluoro-3-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanol
CID 105112954
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804618
(3-bromothiophen-2-yl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 113225600
1-(3-bromo-4-methylphenyl)-2-(3-bromothiophen-2-yl)ethanamine
CID 115848987
2-(3-bromothiophen-2-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115848840
2-(3-bromothiophen-2-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 115849148
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine (CID 105139486) is 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c(C(N)Cc2sccc2Br)oc2ccc(F)cc12.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is BKOXSPBTAOONQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-8-10-6-9(17)2-3-13(10)19-15(8)12(18)7-14-11(16)4-5-20-14/h2-6,12H,7,18H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 354.24 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 105139486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).