1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine

C14H13F4NS — CID 104991349

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1csc(C)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F4NS/c1-8-5-10(7-20-8)13(19-2)9-3-4-12(15)11(6-9)14(16,17)18/h3-7,13,19H,1-2H3
InChIKeyURYVCGLROHZIES-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.52
Rot. Bonds3

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine (PubChem CID 104991349) has the molecular formula C14H13F4NS and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
PubChem CID104991349
Molecular FormulaC14H13F4NS
Molecular Weight303.32 g/mol
Exact Mass303.07
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine
SMILESCNC(c1csc(C)c1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C14H13F4NS/c1-8-5-10(7-20-8)13(19-2)9-3-4-12(15)11(6-9)14(16,17)18/h3-7,13,19H,1-2H3
InChIKeyURYVCGLROHZIES-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 81163519
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
N-methyl-1-(4-methylsulfanylphenyl)-1-(5-methylthiophen-3-yl)methanamine
CID 104991576
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 107291869
N-[(5-bromothiophen-3-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 107291929
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(5-iodothiophen-3-yl)methyl]ethanamine
CID 107291883
[(3,4-difluorophenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105197212
[(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105204191
N-methyl-1-(5-methylthiophen-3-yl)-1-quinoxalin-6-ylmethanamine
CID 65104877

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine (CID 104991349) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine is CNC(c1csc(C)c1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
The InChIKey is URYVCGLROHZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4NS/c1-8-5-10(7-20-8)13(19-2)9-3-4-12(15)11(6-9)14(16,17)18/h3-7,13,19H,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine has a molecular weight of 303.32 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104991349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).