N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

C13H13F3N2S — CID 102708387

IUPACN-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cscc1C)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-8-6-19-7-10(8)12(17-2)9-5-18-4-3-11(9)13(14,15)16/h3-7,12,17H,1-2H3
InChIKeyDWPNFPBVXQFZBV-UHFFFAOYSA-N
MW286.32 g/mol
LogP3.78
Rot. Bonds3

About N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine

N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 102708387) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID102708387
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCNC(c1cscc1C)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2S/c1-8-6-19-7-10(8)12(17-2)9-5-18-4-3-11(9)13(14,15)16/h3-7,12,17H,1-2H3
InChIKeyDWPNFPBVXQFZBV-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine 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-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709911
N-methyl-1-(5-methyl-3-pyridinyl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709913
1-(2,6-dichlorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709752
1-(4-bromo-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708596
1-(3-chloro-2-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708195
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709981
1-(5-bromo-3-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708381
N-methyl-1-(1-methylpyrazol-4-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708231
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
[(3,4-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710524
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 102708387) is N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is CNC(c1cscc1C)c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is DWPNFPBVXQFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8-6-19-7-10(8)12(17-2)9-5-18-4-3-11(9)13(14,15)16/h3-7,12,17H,1-2H3.
What are the key properties of N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine?
N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 286.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylthiophen-3-yl)-1-[4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 102708387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).