2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline

C14H14F3NS — CID 66476593

IUPAC2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCCc1cccs1
InChIInChI=1S/C14H14F3NS/c1-10-4-5-11(14(15,16)17)9-13(10)18-7-6-12-3-2-8-19-12/h2-5,8-9,18H,6-7H2,1H3
InChIKeyKUBOVWHVQFDCDA-UHFFFAOYSA-N
MW285.33 g/mol
LogP4.73
Rot. Bonds4

About 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline

2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline (PubChem CID 66476593) has the molecular formula C14H14F3NS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
PubChem CID66476593
Molecular FormulaC14H14F3NS
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NCCc1cccs1
InChIInChI=1S/C14H14F3NS/c1-10-4-5-11(14(15,16)17)9-13(10)18-7-6-12-3-2-8-19-12/h2-5,8-9,18H,6-7H2,1H3
InChIKeyKUBOVWHVQFDCDA-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 54.73
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
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
5-bromo-N-(2-thiophen-2-ylethyl)-2-(trifluoromethyl)aniline
CID 107285876
3-bromo-4-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 63775490
2-[2-chloro-4-(trifluoromethyl)anilino]-N-(2-thiophen-2-ylethyl)acetamide
CID 55446616
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 66479358
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
4-fluoro-5-methyl-2-nitro-N-(2-thiophen-2-ylethyl)aniline
CID 103591460
2-methyl-N-(pyridin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478762
4-methoxy-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 55237863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline (CID 66476593) is 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NCCc1cccs1.
What is the InChIKey of 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline?
The InChIKey is KUBOVWHVQFDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NS/c1-10-4-5-11(14(15,16)17)9-13(10)18-7-6-12-3-2-8-19-12/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline?
2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline has a molecular weight of 285.33 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-thiophen-2-ylethyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66476593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).