1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine

C12H14BrNS2 — CID 61474936

IUPAC1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)c1sccc1Br
InChIInChI=1S/C12H14BrNS2/c1-9(12-11(13)4-7-16-12)14-5-2-10-3-6-15-8-10/h3-4,6-9,14H,2,5H2,1H3
InChIKeyUGHWZABAYVFTGK-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine

1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 61474936) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID61474936
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)c1sccc1Br
InChIInChI=1S/C12H14BrNS2/c1-9(12-11(13)4-7-16-12)14-5-2-10-3-6-15-8-10/h3-4,6-9,14H,2,5H2,1H3
InChIKeyUGHWZABAYVFTGK-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromothiophen-2-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314813
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 54952781
1-(3-bromothiophen-2-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981561
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
1-(3-bromothiophen-2-yl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106168908
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
1-(3-bromothiophen-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43769411
1-(3-bromothiophen-2-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829492
1-(4-bromo-2-chlorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 82773429
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine (CID 61474936) is 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine is CC(NCCc1ccsc1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is UGHWZABAYVFTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-9(12-11(13)4-7-16-12)14-5-2-10-3-6-15-8-10/h3-4,6-9,14H,2,5H2,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine?
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine has a molecular weight of 316.29 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 61474936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).