2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine

C11H12BrNOS — CID 104789820

IUPAC2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
SMILESCc1occc1C(N)Cc1cc(Br)cs1
InChIInChI=1S/C11H12BrNOS/c1-7-10(2-3-14-7)11(13)5-9-4-8(12)6-15-9/h2-4,6,11H,5,13H2,1H3
InChIKeyXRWVEXHDYFCHAJ-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine

2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104789820) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104789820
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
SMILESCc1occc1C(N)Cc1cc(Br)cs1
InChIInChI=1S/C11H12BrNOS/c1-7-10(2-3-14-7)11(13)5-9-4-8(12)6-15-9/h2-4,6,11H,5,13H2,1H3
InChIKeyXRWVEXHDYFCHAJ-UHFFFAOYSA-N
XLogP3.65
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(4-bromothiophen-2-yl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105139215
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115847633
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
1-(2-methylfuran-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104789770
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
2-(4-bromothiophen-2-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 115847964
2-(1-benzothiophen-3-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789815
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115848001
1-(2-methylfuran-3-yl)butan-1-amine
CID 82416832

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine (CID 104789820) is 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine is Cc1occc1C(N)Cc1cc(Br)cs1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is XRWVEXHDYFCHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-7-10(2-3-14-7)11(13)5-9-4-8(12)6-15-9/h2-4,6,11H,5,13H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 286.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104789820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).