2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline

C12H10BrCl2NS — CID 114082620

IUPAC2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10BrCl2NS/c1-7(8-6-11(14)17-12(8)15)16-10-5-3-2-4-9(10)13/h2-7,16H,1H3
InChIKeyUFUTTWAZLAAPAX-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.99
Rot. Bonds3

About 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline

2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline (PubChem CID 114082620) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline
PubChem CID114082620
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H10BrCl2NS/c1-7(8-6-11(14)17-12(8)15)16-10-5-3-2-4-9(10)13/h2-7,16H,1H3
InChIKeyUFUTTWAZLAAPAX-UHFFFAOYSA-N
XLogP5.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline 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-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]pyridin-3-amine
CID 114082836
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-2-fluoro-3-methylaniline
CID 114254499
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 114082718
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
N-[(2-bromophenyl)-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493123
2-chloro-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-5-methylpyridin-3-amine
CID 114082835
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[(5-bromothiophen-2-yl)methyl]-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 114082698
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103932506
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]aniline
CID 104652074

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline (CID 114082620) is 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline is CC(Nc1ccccc1Br)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline?
The InChIKey is UFUTTWAZLAAPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-7(8-6-11(14)17-12(8)15)16-10-5-3-2-4-9(10)13/h2-7,16H,1H3.
What are the key properties of 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline?
2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline has a molecular weight of 351.10 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,5-dichlorothiophen-3-yl)ethyl]aniline is sourced from PubChem (CID 114082620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).