1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C14H13ClF3NS — CID 103405957

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1scc(C)c1Cl
InChIInChI=1S/C14H13ClF3NS/c1-8-7-20-13(11(8)15)12(19-2)9-5-3-4-6-10(9)14(16,17)18/h3-7,12,19H,1-2H3
InChIKeySFTSBWMITJLFKW-UHFFFAOYSA-N
MW319.78 g/mol
LogP5.04
Rot. Bonds3

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

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 103405957) has the molecular formula C14H13ClF3NS and a molecular weight of 319.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID103405957
Molecular FormulaC14H13ClF3NS
Molecular Weight319.78 g/mol
Exact Mass319.04
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1scc(C)c1Cl
InChIInChI=1S/C14H13ClF3NS/c1-8-7-20-13(11(8)15)12(19-2)9-5-3-4-6-10(9)14(16,17)18/h3-7,12,19H,1-2H3
InChIKeySFTSBWMITJLFKW-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.78
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]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-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
1-(3-chloro-4-methylthiophen-2-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291759
1-(4-bromonaphthalen-1-yl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401226
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61330734
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(3-methoxythiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853851
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026
1-(5-chlorofuran-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 106691982
[(3-chloro-4-methylthiophen-2-yl)-(2-fluorophenyl)methyl]hydrazine
CID 103408457
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 103405206
1-(3-chloro-2,4-dimethoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 103401428

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 103405957) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccccc1C(F)(F)F)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is SFTSBWMITJLFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NS/c1-8-7-20-13(11(8)15)12(19-2)9-5-3-4-6-10(9)14(16,17)18/h3-7,12,19H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 319.78 g/mol, XLogP of 5.04, 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)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103405957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).