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

C11H12BrNOS — CID 104804618

IUPAC2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1sccc1Br
InChIInChI=1S/C11H12BrNOS/c1-7-2-4-14-11(7)9(13)6-10-8(12)3-5-15-10/h2-5,9H,6,13H2,1H3
InChIKeyFKLYBZRBVXSAHJ-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.65
Rot. Bonds3

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

2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104804618) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104804618
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(N)Cc1sccc1Br
InChIInChI=1S/C11H12BrNOS/c1-7-2-4-14-11(7)9(13)6-10-8(12)3-5-15-10/h2-5,9H,6,13H2,1H3
InChIKeyFKLYBZRBVXSAHJ-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-(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
2-(3-bromothiophen-2-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 115849210
2-(3-bromothiophen-2-yl)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanamine
CID 105139486
2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455206
1-(3-methylfuran-2-yl)-2-phenylethanamine
CID 61078451
(3-bromofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 115861576
2-(furan-2-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804301
2-(3-bromothiophen-2-yl)-1-(3,5-dibromophenyl)ethanamine
CID 107974648
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105139558

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine (CID 104804618) is 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine is Cc1ccoc1C(N)Cc1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is FKLYBZRBVXSAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-7-2-4-14-11(7)9(13)6-10-8(12)3-5-15-10/h2-5,9H,6,13H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-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-(3-bromothiophen-2-yl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104804618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).