1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

C14H12ClF4NS — CID 107291759

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1scc(C)c1Cl
InChIInChI=1S/C14H12ClF4NS/c1-7-6-21-13(11(7)15)12(20-2)8-3-4-9(10(16)5-8)14(17,18)19/h3-6,12,20H,1-2H3
InChIKeyHNHULNAVSYHIIO-UHFFFAOYSA-N
MW337.77 g/mol
LogP5.18
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 107291759) has the molecular formula C14H12ClF4NS and a molecular weight of 337.77 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID107291759
Molecular FormulaC14H12ClF4NS
Molecular Weight337.77 g/mol
Exact Mass337.03
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1scc(C)c1Cl
InChIInChI=1S/C14H12ClF4NS/c1-7-6-21-13(11(7)15)12(20-2)8-3-4-9(10(16)5-8)14(17,18)19/h3-6,12,20H,1-2H3
InChIKeyHNHULNAVSYHIIO-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.77
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
1-(3-chloro-4-methylthiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 103405261
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 103406327
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2-methylquinolin-6-yl)methanamine
CID 103406957
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 103400697
1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291435

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 107291759) is 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(C(F)(F)F)c(F)c1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is HNHULNAVSYHIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF4NS/c1-7-6-21-13(11(7)15)12(20-2)8-3-4-9(10(16)5-8)14(17,18)19/h3-6,12,20H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 337.77 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107291759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).