N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

C15H16F3NS — CID 81398630

IUPACN-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N[C@H](C)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NS/c1-10(19-11(2)14-8-5-9-20-14)12-6-3-4-7-13(12)15(16,17)18/h3-11,19H,1-2H3/t10?,11-/m1/s1
InChIKeyBFNUDWXPQWCMOB-RRKGBCIJSA-N
MW299.36 g/mol
LogP5.18
Rot. Bonds4

About N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 81398630) has the molecular formula C15H16F3NS and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID81398630
Molecular FormulaC15H16F3NS
Molecular Weight299.36 g/mol
Exact Mass299.10
IUPAC NameN-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N[C@H](C)c1cccs1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NS/c1-10(19-11(2)14-8-5-9-20-14)12-6-3-4-7-13(12)15(16,17)18/h3-11,19H,1-2H3/t10?,11-/m1/s1
InChIKeyBFNUDWXPQWCMOB-RRKGBCIJSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(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

(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
2-[chloro-[2-(trifluoromethyl)phenyl]methyl]thiophene
CID 61084544
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]propane-1,3-diol
CID 65310633
N-(1-thiophen-2-ylethyl)-2-(trifluoromethyl)benzamide
CID 17475338
N-(dicyclopropylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43111630
1-(2-nitrophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43147647
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115726933
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
2-[1-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]benzene-1,4-diol
CID 81399035
N-[1-(1H-pyrazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103905124

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 81398630) is N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is CC(N[C@H](C)c1cccs1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BFNUDWXPQWCMOB-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H16F3NS/c1-10(19-11(2)14-8-5-9-20-14)12-6-3-4-7-13(12)15(16,17)18/h3-11,19H,1-2H3/t10?,11-/m1/s1.
What are the key properties of N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 299.36 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 81398630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).