2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine

C14H13Br2NOS — CID 105178517

IUPAC2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine
SMILESNC(Cc1cc(Br)cc2c1OCC2)c1csc(Br)c1
InChIInChI=1S/C14H13Br2NOS/c15-11-3-8-1-2-18-14(8)9(4-11)5-12(17)10-6-13(16)19-7-10/h3-4,6-7,12H,1-2,5,17H2
InChIKeyNTXHCCPHWMOJQH-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.45
Rot. Bonds3

About 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine (PubChem CID 105178517) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine
PubChem CID105178517
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine
SMILESNC(Cc1cc(Br)cc2c1OCC2)c1csc(Br)c1
InChIInChI=1S/C14H13Br2NOS/c15-11-3-8-1-2-18-14(8)9(4-11)5-12(17)10-6-13(16)19-7-10/h3-4,6-7,12H,1-2,5,17H2
InChIKeyNTXHCCPHWMOJQH-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 105031711
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877893
1-(5-bromothiophen-3-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 105178440
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-5-thiophen-2-ylpentan-2-amine
CID 105178514
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105178502
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-cyclohexylpropan-2-amine
CID 105031611
5-bromo-7-[2-(1-chloroethyl)-3-methylbutyl]-2,3-dihydro-1-benzofuran
CID 113403617
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(5-iodothiophen-3-yl)methanamine
CID 104541568
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 107947763
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-thiophen-3-ylethanamine
CID 113403542

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine?
The IUPAC name of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine (CID 105178517) is 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine is NC(Cc1cc(Br)cc2c1OCC2)c1csc(Br)c1.
What is the InChIKey of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine?
The InChIKey is NTXHCCPHWMOJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c15-11-3-8-1-2-18-14(8)9(4-11)5-12(17)10-6-13(16)19-7-10/h3-4,6-7,12H,1-2,5,17H2.
What are the key properties of 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine?
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine has a molecular weight of 403.14 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(5-bromothiophen-3-yl)ethanamine is sourced from PubChem (CID 105178517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).