3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline

C14H17NS — CID 63773614

IUPAC3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1ccc(NCCc2cccs2)cc1C
InChIInChI=1S/C14H17NS/c1-11-5-6-13(10-12(11)2)15-8-7-14-4-3-9-16-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyMERVQAYEOPIAGV-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.02
Rot. Bonds4

About 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline

3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 63773614) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID63773614
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCc1ccc(NCCc2cccs2)cc1C
InChIInChI=1S/C14H17NS/c1-11-5-6-13(10-12(11)2)15-8-7-14-4-3-9-16-14/h3-6,9-10,15H,7-8H2,1-2H3
InChIKeyMERVQAYEOPIAGV-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-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

4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
CID 83962574
2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
CID 66476593
1-[3-(2-thiophen-2-ylethylamino)phenyl]ethanol
CID 83962994
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
3-propan-2-yloxy-N-(2-thiophen-2-ylethyl)aniline
CID 83961408
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline (CID 63773614) is 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline is Cc1ccc(NCCc2cccs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is MERVQAYEOPIAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-11-5-6-13(10-12(11)2)15-8-7-14-4-3-9-16-14/h3-6,9-10,15H,7-8H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline?
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 231.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 63773614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).