4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline

C13H14BrNS — CID 103145680

IUPAC4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline
SMILESCc1cc(-c2cc(C)c(Br)s2)c(C)cc1N
InChIInChI=1S/C13H14BrNS/c1-7-5-11(15)8(2)4-10(7)12-6-9(3)13(14)16-12/h4-6H,15H2,1-3H3
InChIKeyTUYNSZYACJQQMX-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.69
Rot. Bonds1

About 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline

4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline (PubChem CID 103145680) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline.

Molecular Properties

Compound Name4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline
PubChem CID103145680
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline
SMILESCc1cc(-c2cc(C)c(Br)s2)c(C)cc1N
InChIInChI=1S/C13H14BrNS/c1-7-5-11(15)8(2)4-10(7)12-6-9(3)13(14)16-12/h4-6H,15H2,1-3H3
InChIKeyTUYNSZYACJQQMX-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-4-methylthiophen-2-yl)-4,5-dimethylaniline
CID 79995110
3-(5-bromo-4-methylthiophen-2-yl)-4-methylaniline
CID 79995629
4-(3,5-dimethylthiophen-2-yl)-2,5-dimethylaniline
CID 103145683
5-(5-bromo-4-methylthiophen-2-yl)-2-ethylaniline
CID 79995638
2,5-bis(5-bromo-4-methylthiophen-2-yl)-3,6-dimethylthieno[3,2-b]thiophene
CID 141269537
4-(5-bromo-4-methylthiophen-2-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 83084820
3-amino-5-(2,4,5-trimethylphenyl)thiophene-2-carboxylic acid
CID 82302278
4-(4-chlorophenyl)-2,5-dimethylaniline
CID 23381822
2-bromo-5-tert-butyl-3-methylthiophene
CID 146378134
3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 79990711
4-[2-(4-amino-2,5-dimethylphenyl)-3-methylphenyl]-2,5-dimethylaniline
CID 70283207
4-(4-amino-2-chloro-5-methylphenyl)-5-chloro-2-methylaniline
CID 19845090

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline?
The IUPAC name of 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline (CID 103145680) is 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline.
What is the SMILES notation for 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline?
The canonical SMILES for 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline is Cc1cc(-c2cc(C)c(Br)s2)c(C)cc1N.
What is the InChIKey of 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline?
The InChIKey is TUYNSZYACJQQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-7-5-11(15)8(2)4-10(7)12-6-9(3)13(14)16-12/h4-6H,15H2,1-3H3.
What are the key properties of 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline?
4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline has a molecular weight of 296.23 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-4-methylthiophen-2-yl)-2,5-dimethylaniline is sourced from PubChem (CID 103145680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).