2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine

C13H12F3NS — CID 61077581

IUPAC2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)10-4-1-3-9(7-10)12(17)8-11-5-2-6-18-11/h1-7,12H,8,17H2
InChIKeyDWUSCIXBFOMCDJ-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.01
Rot. Bonds3

About 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine

2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 61077581) has the molecular formula C13H12F3NS and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID61077581
Molecular FormulaC13H12F3NS
Molecular Weight271.31 g/mol
Exact Mass271.06
IUPAC Name2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESNC(Cc1cccs1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NS/c14-13(15,16)10-4-1-3-9(7-10)12(17)8-11-5-2-6-18-11/h1-7,12H,8,17H2
InChIKeyDWUSCIXBFOMCDJ-UHFFFAOYSA-N
XLogP4.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine 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

1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-thiophen-2-ylethanamine
CID 107288851
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
2-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 62791242
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
2-thiophen-2-yl-1-[4-(trifluoromethyl)thiophen-3-yl]ethanamine
CID 112745542
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
2-nitro-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 68646447

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 61077581) is 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine is NC(Cc1cccs1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is DWUSCIXBFOMCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NS/c14-13(15,16)10-4-1-3-9(7-10)12(17)8-11-5-2-6-18-11/h1-7,12H,8,17H2.
What are the key properties of 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 271.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 61077581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).