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

C13H16BrNOS — CID 106854675

IUPACN-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1ccoc1Br
InChIInChI=1S/C13H16BrNOS/c1-2-6-15-12(9-10-4-3-8-17-10)11-5-7-16-13(11)14/h3-5,7-8,12,15H,2,6,9H2,1H3
InChIKeyHHTCTRIXVMVXBY-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.39
Rot. Bonds6

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

N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 106854675) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID106854675
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC NameN-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1ccoc1Br
InChIInChI=1S/C13H16BrNOS/c1-2-6-15-12(9-10-4-3-8-17-10)11-5-7-16-13(11)14/h3-5,7-8,12,15H,2,6,9H2,1H3
InChIKeyHHTCTRIXVMVXBY-UHFFFAOYSA-N
XLogP4.39
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-bromofuran-3-yl)-2-thiophen-2-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-(2,4-dibromophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945447
N-[1-(5-bromo-2-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63527737
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
1-(2-bromofuran-3-yl)-3-ethyl-N-propylpentan-1-amine
CID 106858445
1-(2-bromofuran-3-yl)-N-propylhexan-1-amine
CID 106857248
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
1-(2-bromofuran-3-yl)-3-phenyl-N-propylpropan-1-amine
CID 106856969
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
N-[1-(3-bromo-5-chlorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 107945448
N-[1-(4-chloro-2,5-difluorophenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 82771763
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine (CID 106854675) is N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1ccoc1Br.
What is the InChIKey of N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is HHTCTRIXVMVXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-2-6-15-12(9-10-4-3-8-17-10)11-5-7-16-13(11)14/h3-5,7-8,12,15H,2,6,9H2,1H3.
What are the key properties of N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 314.25 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromofuran-3-yl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 106854675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).