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

C14H13ClF3NS — CID 102757874

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)c1sccc1Cl
InChIInChI=1S/C14H13ClF3NS/c1-8-7-9(14(16,17)18)3-4-10(8)12(19-2)13-11(15)5-6-20-13/h3-7,12,19H,1-2H3
InChIKeyLMXFXZDNGFWPSL-UHFFFAOYSA-N
MW319.78 g/mol
LogP5.04
Rot. Bonds3

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

1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 102757874) has the molecular formula C14H13ClF3NS and a molecular weight of 319.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID102757874
Molecular FormulaC14H13ClF3NS
Molecular Weight319.78 g/mol
Exact Mass319.04
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccc(C(F)(F)F)cc1C)c1sccc1Cl
InChIInChI=1S/C14H13ClF3NS/c1-8-7-9(14(16,17)18)3-4-10(8)12(19-2)13-11(15)5-6-20-13/h3-7,12,19H,1-2H3
InChIKeyLMXFXZDNGFWPSL-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

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-(2-fluoro-4-methylphenyl)-N-methylmethanamine
CID 80529274
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102757506
1-(5-iodothiophen-3-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758264
1-(4-fluorophenyl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753402
N-methyl-1-(3-methylthiophen-2-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 55006914
1-(3-chlorothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 80529038
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102804693
1-(5-bromo-2-fluorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 80529266
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 102757503
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
1-(5-ethylthiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102758626

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine (CID 102757874) is 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is CNC(c1ccc(C(F)(F)F)cc1C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LMXFXZDNGFWPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NS/c1-8-7-9(14(16,17)18)3-4-10(8)12(19-2)13-11(15)5-6-20-13/h3-7,12,19H,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(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-chlorothiophen-2-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102757874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).