2-(2,5-dimethylthiophen-3-yl)-4-methylaniline

C13H15NS — CID 112557850

IUPAC2-(2,5-dimethylthiophen-3-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cc(C)sc2C)c1
InChIInChI=1S/C13H15NS/c1-8-4-5-13(14)12(6-8)11-7-9(2)15-10(11)3/h4-7H,14H2,1-3H3
InChIKeyGYNYENXRLDUCRT-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.92
Rot. Bonds1

About 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline

2-(2,5-dimethylthiophen-3-yl)-4-methylaniline (PubChem CID 112557850) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(2,5-dimethylthiophen-3-yl)-4-methylaniline
PubChem CID112557850
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2-(2,5-dimethylthiophen-3-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2cc(C)sc2C)c1
InChIInChI=1S/C13H15NS/c1-8-4-5-13(14)12(6-8)11-7-9(2)15-10(11)3/h4-7H,14H2,1-3H3
InChIKeyGYNYENXRLDUCRT-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.92
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-(2,5-dimethylthiophen-3-yl)aniline
CID 13413497
2-bromo-4-(2,5-dimethylthiophen-3-yl)aniline
CID 82866044
(2-amino-5-methylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 65455690
2-chloro-4-(2,5-dimethylthiophen-3-yl)-5-methylaniline
CID 104668338
3-(2-amino-5-methylphenyl)-2-methylaniline
CID 68787486
5-(2,5-dimethylthiophen-3-yl)quinolin-8-amine
CID 104826648
2-(2-fluorophenyl)-4-methylaniline
CID 62492091
4-methyl-2-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 82474811
3,4-bis(2,5-dimethylthiophen-3-yl)-1-(4-methylphenyl)-2,5-dihydropyrrole
CID 102295960
2-(3-fluoro-2-methylphenyl)-4-methylaniline
CID 115502782
2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
CID 82471042
4-methyl-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 55197887

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline?
The IUPAC name of 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline (CID 112557850) is 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline.
What is the SMILES notation for 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline?
The canonical SMILES for 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline is Cc1ccc(N)c(-c2cc(C)sc2C)c1.
What is the InChIKey of 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline?
The InChIKey is GYNYENXRLDUCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-8-4-5-13(14)12(6-8)11-7-9(2)15-10(11)3/h4-7H,14H2,1-3H3.
What are the key properties of 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline?
2-(2,5-dimethylthiophen-3-yl)-4-methylaniline has a molecular weight of 217.34 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylthiophen-3-yl)-4-methylaniline is sourced from PubChem (CID 112557850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).