2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline

C12H10BrCl2NS — CID 81264190

IUPAC2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1cc(Cl)ccc1Br)c1ccc(Cl)s1
InChIInChI=1S/C12H10BrCl2NS/c1-7(11-4-5-12(15)17-11)16-10-6-8(14)2-3-9(10)13/h2-7,16H,1H3
InChIKeyRLOKXJKBSKPXIR-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.99
Rot. Bonds3

About 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline

2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline (PubChem CID 81264190) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
PubChem CID81264190
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
SMILESCC(Nc1cc(Cl)ccc1Br)c1ccc(Cl)s1
InChIInChI=1S/C12H10BrCl2NS/c1-7(11-4-5-12(15)17-11)16-10-6-8(14)2-3-9(10)13/h2-7,16H,1H3
InChIKeyRLOKXJKBSKPXIR-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-5-chloro-N-[1-(5-chlorothiophen-2-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

4-chloro-2-[1-(5-chlorothiophen-2-yl)ethylamino]benzenecarbothioamide
CID 55181759
4-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-difluoroaniline
CID 65469266
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43438966
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-4-methylaniline
CID 43439176
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 81271218
2-bromo-4-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113257289
2-bromo-5-chloro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 81271203
2,3-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline
CID 43439175
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3,5,6-tetrafluoroaniline
CID 107643647
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propan-2-ylaniline
CID 43381990
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfanylaniline
CID 43683406
4-chloro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 115468753

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The IUPAC name of 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline (CID 81264190) is 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline is CC(Nc1cc(Cl)ccc1Br)c1ccc(Cl)s1.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
The InChIKey is RLOKXJKBSKPXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c1-7(11-4-5-12(15)17-11)16-10-6-8(14)2-3-9(10)13/h2-7,16H,1H3.
What are the key properties of 2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline?
2-bromo-5-chloro-N-[1-(5-chlorothiophen-2-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-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]aniline is sourced from PubChem (CID 81264190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).