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

C15H15ClF3NS — CID 103405485

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1scc(C)c1Cl
InChIInChI=1S/C15H15ClF3NS/c1-9-8-21-14(13(9)16)12(20-2)7-10-4-3-5-11(6-10)15(17,18)19/h3-6,8,12,20H,7H2,1-2H3
InChIKeyOZCZEHJWGSMDPR-UHFFFAOYSA-N
MW333.81 g/mol
LogP5.23
Rot. Bonds4

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

1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 103405485) has the molecular formula C15H15ClF3NS and a molecular weight of 333.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID103405485
Molecular FormulaC15H15ClF3NS
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1scc(C)c1Cl
InChIInChI=1S/C15H15ClF3NS/c1-9-8-21-14(13(9)16)12(20-2)7-10-4-3-5-11(6-10)15(17,18)19/h3-6,8,12,20H,7H2,1-2H3
InChIKeyOZCZEHJWGSMDPR-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.81
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 103402443
(3-chloro-4-methylthiophen-2-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 103405830
[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105293218
N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 66273581
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylthiophen-2-yl)-N-methylethanamine
CID 103405383
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
2-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-3-chloro-4-methylthiophene
CID 103405763
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 103405485) is 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1cccc(C(F)(F)F)c1)c1scc(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is OZCZEHJWGSMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3NS/c1-9-8-21-14(13(9)16)12(20-2)7-10-4-3-5-11(6-10)15(17,18)19/h3-6,8,12,20H,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 333.81 g/mol, XLogP of 5.23, 4 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-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 103405485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).