1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine

C15H15F4NS — CID 81163519

IUPAC1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C(F)(F)F)c1)c1sc(C)cc1C
InChIInChI=1S/C15H15F4NS/c1-8-6-9(2)21-14(8)13(20-3)10-4-5-12(16)11(7-10)15(17,18)19/h4-7,13,20H,1-3H3
InChIKeyNUEBSWUPRYVLBL-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.83
Rot. Bonds3

About 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 81163519) has the molecular formula C15H15F4NS and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID81163519
Molecular FormulaC15H15F4NS
Molecular Weight317.35 g/mol
Exact Mass317.09
IUPAC Name1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(F)c(C(F)(F)F)c1)c1sc(C)cc1C
InChIInChI=1S/C15H15F4NS/c1-8-6-9(2)21-14(8)13(20-3)10-4-5-12(16)11(7-10)15(17,18)19/h4-7,13,20H,1-3H3
InChIKeyNUEBSWUPRYVLBL-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81157270
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-(5-methylthiophen-3-yl)methanamine
CID 104991349
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
1-(3,4-dichlorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155759
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 104988381
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-pyridazin-4-ylmethanamine
CID 107291869
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
N-[(3-bromo-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107950801
[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine
CID 107292364

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 81163519) is 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(F)c(C(F)(F)F)c1)c1sc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is NUEBSWUPRYVLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4NS/c1-8-6-9(2)21-14(8)13(20-3)10-4-5-12(16)11(7-10)15(17,18)19/h4-7,13,20H,1-3H3.
What are the key properties of 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 317.35 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 81163519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).