2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline

C12H10Br2ClNS — CID 114082819

IUPAC2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
SMILESCC(Nc1c(Br)cccc1Br)c1csc(Cl)c1
InChIInChI=1S/C12H10Br2ClNS/c1-7(8-5-11(15)17-6-8)16-12-9(13)3-2-4-10(12)14/h2-7,16H,1H3
InChIKeyWKPTYWMUFLBTPO-UHFFFAOYSA-N
MW395.55 g/mol
LogP6.10
Rot. Bonds3

About 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline

2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline (PubChem CID 114082819) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
PubChem CID114082819
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline
SMILESCC(Nc1c(Br)cccc1Br)c1csc(Cl)c1
InChIInChI=1S/C12H10Br2ClNS/c1-7(8-5-11(15)17-6-8)16-12-9(13)3-2-4-10(12)14/h2-7,16H,1H3
InChIKeyWKPTYWMUFLBTPO-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-dibromo-N-[1-(5-chlorothiophen-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

N-[(2-bromophenyl)methyl]-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976521
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylaniline
CID 102976765
N-[1-(5-chlorothiophen-3-yl)ethyl]-2-methylsulfanylaniline
CID 102976894
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
N-[1-(5-chlorothiophen-3-yl)ethyl]-4-fluoroaniline
CID 102976781
N-[1-(5-chlorothiophen-3-yl)ethyl]-3-ethynylaniline
CID 114082603
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,5-difluoroaniline
CID 114082630
1-(5-chlorothiophen-3-yl)-N-[1-(2,6-difluorophenyl)ethyl]ethanamine
CID 102976441
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-4-amine
CID 114082695
N-[1-(5-chlorothiophen-3-yl)ethyl]-1H-indazol-7-amine
CID 114082685
4-(1-bromoethyl)-2-chlorothiophene
CID 174383699
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 102976436

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline (CID 114082819) is 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline is CC(Nc1c(Br)cccc1Br)c1csc(Cl)c1.
What is the InChIKey of 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline?
The InChIKey is WKPTYWMUFLBTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c1-7(8-5-11(15)17-6-8)16-12-9(13)3-2-4-10(12)14/h2-7,16H,1H3.
What are the key properties of 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline?
2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline has a molecular weight of 395.55 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-(5-chlorothiophen-3-yl)ethyl]aniline is sourced from PubChem (CID 114082819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).