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

C14H15Br2NS — CID 43683002

IUPAC2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2ccc(Br)cc2Br)c(C)s1
InChIInChI=1S/C14H15Br2NS/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3
InChIKeyAFDDRZRPOZSJHG-UHFFFAOYSA-N
MW389.16 g/mol
LogP6.06
Rot. Bonds3

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

2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline (PubChem CID 43683002) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
PubChem CID43683002
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
SMILESCc1cc(C(C)Nc2ccc(Br)cc2Br)c(C)s1
InChIInChI=1S/C14H15Br2NS/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3
InChIKeyAFDDRZRPOZSJHG-UHFFFAOYSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dibromo-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

4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
4-bromo-2-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzene-1,2-diamine
CID 65343083
2-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 115511592
3-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzoic acid
CID 82801714
3-bromo-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]benzenecarbothioamide
CID 82805024
4-bromo-2,3-dichloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline
CID 107787895
6-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43681742
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
2,4-dibromo-N-[1-(4-bromophenyl)ethyl]aniline
CID 43683094
1-(4-bromo-2-chlorophenyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]ethanamine
CID 82774817
2-[1-(2,4-dibromoanilino)ethyl]-5-methylphenol
CID 43682995
1-(2,4-dibromophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 107950365

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The IUPAC name of 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline (CID 43683002) is 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline.
What is the SMILES notation for 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The canonical SMILES for 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline is Cc1cc(C(C)Nc2ccc(Br)cc2Br)c(C)s1.
What is the InChIKey of 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
The InChIKey is AFDDRZRPOZSJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-8-6-12(10(3)18-8)9(2)17-14-5-4-11(15)7-13(14)16/h4-7,9,17H,1-3H3.
What are the key properties of 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline?
2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline has a molecular weight of 389.16 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]aniline is sourced from PubChem (CID 43683002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).