N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine

C12H14BrNS2 — CID 115712475

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCc1ccc(Br)s1)c1cccs1
InChIInChI=1S/C12H14BrNS2/c1-9(11-3-2-8-15-11)14-7-6-10-4-5-12(13)16-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyTVBCNYHNRHORCJ-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.47
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine (PubChem CID 115712475) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
PubChem CID115712475
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
SMILESCC(NCCc1ccc(Br)s1)c1cccs1
InChIInChI=1S/C12H14BrNS2/c1-9(11-3-2-8-15-11)14-7-6-10-4-5-12(13)16-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyTVBCNYHNRHORCJ-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

N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 113343837
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879121
1-(1,3-benzothiazol-2-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 103778873
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-[2-(5-bromothiophen-2-yl)ethyl]-1-phenylpropan-2-amine
CID 106042494
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
1-(2-bromo-4-fluorophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 106043231
(E)-N-(1-thiophen-2-ylethyl)pent-3-en-1-amine
CID 115890198

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine (CID 115712475) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine is CC(NCCc1ccc(Br)s1)c1cccs1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine?
The InChIKey is TVBCNYHNRHORCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-9(11-3-2-8-15-11)14-7-6-10-4-5-12(13)16-10/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine 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 N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115712475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).