N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

C13H16BrNS2 — CID 63798477

IUPACN-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1sccc1Br
InChIInChI=1S/C13H16BrNS2/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3
InChIKeyGZQGPUKIPOBZSV-UHFFFAOYSA-N
MW330.32 g/mol
LogP4.86
Rot. Bonds6

About N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine

N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (PubChem CID 63798477) has the molecular formula C13H16BrNS2 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
PubChem CID63798477
Molecular FormulaC13H16BrNS2
Molecular Weight330.32 g/mol
Exact Mass328.99
IUPAC NameN-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccsc1)c1sccc1Br
InChIInChI=1S/C13H16BrNS2/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3
InChIKeyGZQGPUKIPOBZSV-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]hydrazine
CID 105297810
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
1-(3-bromothiophen-2-yl)-N-ethyl-3-thiophen-3-ylpropan-1-amine
CID 115857053
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(5-bromo-2-pyridinyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105036190
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine (CID 63798477) is N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is CCCNC(Cc1ccsc1)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
The InChIKey is GZQGPUKIPOBZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNS2/c1-2-5-15-12(8-10-3-6-16-9-10)13-11(14)4-7-17-13/h3-4,6-7,9,12,15H,2,5,8H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine?
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine has a molecular weight of 330.32 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine is sourced from PubChem (CID 63798477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).