4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline

C14H14BrCl2NS — CID 43126565

IUPAC4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2c(Cl)cc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C14H14BrCl2NS/c1-7-4-11(9(3)19-7)8(2)18-14-12(16)5-10(15)6-13(14)17/h4-6,8,18H,1-3H3
InChIKeyDIDHAPWUNYUIKT-UHFFFAOYSA-N
MW379.15 g/mol
LogP6.61
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline

4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline (PubChem CID 43126565) has the molecular formula C14H14BrCl2NS and a molecular weight of 379.15 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
PubChem CID43126565
Molecular FormulaC14H14BrCl2NS
Molecular Weight379.15 g/mol
Exact Mass376.94
IUPAC Name4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2c(Cl)cc(Br)cc2Cl)c(C)s1
InChIInChI=1S/C14H14BrCl2NS/c1-7-4-11(9(3)19-7)8(2)18-14-12(16)5-10(15)6-13(14)17/h4-6,8,18H,1-3H3
InChIKeyDIDHAPWUNYUIKT-UHFFFAOYSA-N
XLogP6.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.15
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-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

1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
3-chloro-2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 54965062
3,5-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43101504
4-bromo-2,3-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 107787895
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 43683002
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylpyridin-3-amine
CID 65484697
5-chloro-1-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-fluorobenzene-1,2,4-triamine
CID 103552842
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-nitroaniline
CID 63541187
4-bromo-2,6-dichloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]aniline
CID 63750764
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
5-bromo-2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyrimidin-4-amine
CID 79072973
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43150400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline (CID 43126565) is 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline is Cc1cc(C(C)Nc2c(Cl)cc(Br)cc2Cl)c(C)s1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The InChIKey is DIDHAPWUNYUIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NS/c1-7-4-11(9(3)19-7)8(2)18-14-12(16)5-10(15)6-13(14)17/h4-6,8,18H,1-3H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline has a molecular weight of 379.15 g/mol, XLogP of 6.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline is sourced from PubChem (CID 43126565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).