N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline

C12H10F3NS — CID 12032356

IUPACN-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cccs1
InChIInChI=1S/C12H10F3NS/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-7,16H,8H2
InChIKeyOHELFBAAYRIWSG-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.38
Rot. Bonds3

About N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline

N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 12032356) has the molecular formula C12H10F3NS and a molecular weight of 257.28 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID12032356
Molecular FormulaC12H10F3NS
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC NameN-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1cccs1
InChIInChI=1S/C12H10F3NS/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-7,16H,8H2
InChIKeyOHELFBAAYRIWSG-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Fluoro-2-thiophen-2-yl-1,2-dihydroquinazolin-4-amine
CID 21192814
2-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
N,N-diethyl-4-{[(2-thienylmethyl)amino]methyl}aniline hydrochloride
CID 2976089
2-[2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-N,N-dimethylaniline
CID 10039780
2-amino-N,N-dimethyl-alpha-(3-methyl-2-thienyl)benzeneethanamine
CID 10061179
3-Anilino-2-(3-thienyl)acrylonitrile
CID 2766384
2-(3-Thienyl)-3-(4-toluidino)acrylonitrile
CID 2766392
N-benzyl-4-(trifluoromethylsulfanyl)aniline
CID 43230121
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-thiophen-2-ylaniline
CID 44369351
2-[2-(3-Methylthiophen-2-yl)-2-(propylamino)ethyl]aniline;hydrochloride
CID 45261382
2-[2-(Methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261385
2-[2-(Ethylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline;hydrochloride
CID 45261407

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 12032356) is N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is OHELFBAAYRIWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NS/c13-12(14,15)10-5-1-2-6-11(10)16-8-9-4-3-7-17-9/h1-7,16H,8H2.
What are the key properties of N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline?
N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 257.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 12032356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).