3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline

C13H14BrNS — CID 63775490

IUPAC3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1ccc(NCCc2cccs2)cc1Br
InChIInChI=1S/C13H14BrNS/c1-10-4-5-11(9-13(10)14)15-7-6-12-3-2-8-16-12/h2-5,8-9,15H,6-7H2,1H3
InChIKeyFJEMLJOUUCHDOV-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.47
Rot. Bonds4

About 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline

3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63775490) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63775490
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1ccc(NCCc2cccs2)cc1Br
InChIInChI=1S/C13H14BrNS/c1-10-4-5-11(9-13(10)14)15-7-6-12-3-2-8-16-12/h2-5,8-9,15H,6-7H2,1H3
InChIKeyFJEMLJOUUCHDOV-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)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

3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
3-bromo-5-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 82868460
2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
CID 83962574
5-amino-4-bromo-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 114624888
2-bromo-6-fluoro-N-(2-thiophen-2-ylethyl)aniline
CID 107599377
2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
CID 66476593
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 63775490) is 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline is Cc1ccc(NCCc2cccs2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is FJEMLJOUUCHDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-10-4-5-11(9-13(10)14)15-7-6-12-3-2-8-16-12/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline?
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 296.23 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63775490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).