1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

C14H13ClF3NS — CID 102763751

IUPAC1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H13ClF3NS/c1-8-6-11(20-13(8)15)12(19-2)9-4-3-5-10(7-9)14(16,17)18/h3-7,12,19H,1-2H3
InChIKeyODSBHISRPMXYGP-UHFFFAOYSA-N
MW319.78 g/mol
LogP5.04
Rot. Bonds3

About 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine

1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 102763751) has the molecular formula C14H13ClF3NS and a molecular weight of 319.78 g/mol. Its IUPAC name is 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID102763751
Molecular FormulaC14H13ClF3NS
Molecular Weight319.78 g/mol
Exact Mass319.04
IUPAC Name1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H13ClF3NS/c1-8-6-11(20-13(8)15)12(19-2)9-4-3-5-10(7-9)14(16,17)18/h3-7,12,19H,1-2H3
InChIKeyODSBHISRPMXYGP-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-(5-bromo-4-chlorothiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 80531387
1-(5-chloro-4-methylthiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763778
1-(5-chloro-4-methylthiophen-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 102763742
1-(2,5-dichlorothiophen-3-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43486860
1-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763792
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
1-(5-ethylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43480838
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(3-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 79697009
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62789882
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine (CID 102763751) is 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is CNC(c1cccc(C(F)(F)F)c1)c1cc(C)c(Cl)s1.
What is the InChIKey of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ODSBHISRPMXYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NS/c1-8-6-11(20-13(8)15)12(19-2)9-4-3-5-10(7-9)14(16,17)18/h3-7,12,19H,1-2H3.
What are the key properties of 1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine?
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(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-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 102763751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).