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

C14H17NOS — CID 55237863

IUPAC4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCOc1ccc(NCCc2cccs2)cc1C
InChIInChI=1S/C14H17NOS/c1-11-10-12(5-6-14(11)16-2)15-8-7-13-4-3-9-17-13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyKSHSQMONAUNCFJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.72
Rot. Bonds5

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

4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 55237863) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID55237863
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCOc1ccc(NCCc2cccs2)cc1C
InChIInChI=1S/C14H17NOS/c1-11-10-12(5-6-14(11)16-2)15-8-7-13-4-3-9-17-13/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyKSHSQMONAUNCFJ-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-methoxy-3-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
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
3-bromo-5-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 82868460
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 55237863) is 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline is COc1ccc(NCCc2cccs2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is KSHSQMONAUNCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11-10-12(5-6-14(11)16-2)15-8-7-13-4-3-9-17-13/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 247.36 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 55237863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).