2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine

C13H14BrNS2 — CID 115841290

IUPAC2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccccc1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C13H14BrNS2/c1-16-12-5-3-2-4-10(12)11(15)8-9-6-7-13(14)17-9/h2-7,11H,8,15H2,1H3
InChIKeyGTUJEXXGLMKLST-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.47
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 115841290) has the molecular formula C13H14BrNS2 and a molecular weight of 328.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID115841290
Molecular FormulaC13H14BrNS2
Molecular Weight328.30 g/mol
Exact Mass326.98
IUPAC Name2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
SMILESCSc1ccccc1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C13H14BrNS2/c1-16-12-5-3-2-4-10(12)11(15)8-9-6-7-13(14)17-9/h2-7,11H,8,15H2,1H3
InChIKeyGTUJEXXGLMKLST-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine 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

2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
1-(2-methylsulfanylphenyl)-2-thiophen-2-ylethanamine
CID 79217934
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(4-ethylphenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115803857
2-(3-bromo-4-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115819033
1-(5-bromothiophen-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098427

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine (CID 115841290) is 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine is CSc1ccccc1C(N)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is GTUJEXXGLMKLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS2/c1-16-12-5-3-2-4-10(12)11(15)8-9-6-7-13(14)17-9/h2-7,11H,8,15H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 328.30 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115841290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).