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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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).