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

C15H19NS — CID 114250199

IUPAC4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCCc1ccc(NCCc2cccs2)cc1C
InChIInChI=1S/C15H19NS/c1-3-13-6-7-14(11-12(13)2)16-9-8-15-5-4-10-17-15/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyXPJKTVYKFQNSHW-UHFFFAOYSA-N
MW245.39 g/mol
LogP4.27
Rot. Bonds5

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

4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 114250199) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID114250199
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESCCc1ccc(NCCc2cccs2)cc1C
InChIInChI=1S/C15H19NS/c1-3-13-6-7-14(11-12(13)2)16-9-8-15-5-4-10-17-15/h4-7,10-11,16H,3,8-9H2,1-2H3
InChIKeyXPJKTVYKFQNSHW-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863
4-ethyl-3-methyl-N-(2-phenylethyl)aniline
CID 114250118
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
2-(hydroxymethyl)-4-(2-thiophen-2-ylethylamino)phenol
CID 83962574
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
1-(3,4-dimethylphenyl)-3-(2-thiophen-2-ylethyl)urea
CID 4665245
3-ethoxy-4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 63670583
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 43453843
4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211
4-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 23104820

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 114250199) is 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline is CCc1ccc(NCCc2cccs2)cc1C.
What is the InChIKey of 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is XPJKTVYKFQNSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS/c1-3-13-6-7-14(11-12(13)2)16-9-8-15-5-4-10-17-15/h4-7,10-11,16H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline?
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 245.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 114250199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).