N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

C13H13F3N2S — CID 105100554

IUPACN-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cn1)c1cccs1
InChIInChI=1S/C13H13F3N2S/c1-2-17-12(11-4-3-7-19-11)10-6-5-9(8-18-10)13(14,15)16/h3-8,12,17H,2H2,1H3
InChIKeyROTJTENRANGGGF-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.86
Rot. Bonds4

About N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine

N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (PubChem CID 105100554) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
PubChem CID105100554
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)cn1)c1cccs1
InChIInChI=1S/C13H13F3N2S/c1-2-17-12(11-4-3-7-19-11)10-6-5-9(8-18-10)13(14,15)16/h3-8,12,17H,2H2,1H3
InChIKeyROTJTENRANGGGF-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]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

N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105150068
N-[[2-methyl-4-(trifluoromethyl)phenyl]-thiophen-2-ylmethyl]ethanamine
CID 102753433
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
N-[(3-methylthiophen-2-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 105166549
N-[cyclopropyl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105157245
N-[(4,6-dimethyl-2-pyridinyl)-thiophen-2-ylmethyl]ethanamine
CID 114269412
N-[thiadiazol-4-yl(thiophen-2-yl)methyl]ethanamine
CID 105100443
N-[(1-methylpyrazol-3-yl)-thiophen-2-ylmethyl]ethanamine
CID 65200220
N-methyl-1-thiophen-2-yl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 43483425
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347
N-[(1-methylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 103134582
N-ethyl-4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pent-4-en-1-amine
CID 105182656

Frequently Asked Questions

What is the IUPAC name of N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine (CID 105100554) is N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)cn1)c1cccs1.
What is the InChIKey of N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
The InChIKey is ROTJTENRANGGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-2-17-12(11-4-3-7-19-11)10-6-5-9(8-18-10)13(14,15)16/h3-8,12,17H,2H2,1H3.
What are the key properties of N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine?
N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine has a molecular weight of 286.32 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105100554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).