1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine

C14H13ClF3NOS — CID 115843408

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)c1sccc1Cl
InChIInChI=1S/C14H13ClF3NOS/c1-19-12(13-11(15)6-7-21-13)8-9-2-4-10(5-3-9)20-14(16,17)18/h2-7,12,19H,8H2,1H3
InChIKeyHHWZZWCYWBOMJD-UHFFFAOYSA-N
MW335.78 g/mol
LogP4.80
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine

1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 115843408) has the molecular formula C14H13ClF3NOS and a molecular weight of 335.78 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID115843408
Molecular FormulaC14H13ClF3NOS
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1ccc(OC(F)(F)F)cc1)c1sccc1Cl
InChIInChI=1S/C14H13ClF3NOS/c1-19-12(13-11(15)6-7-21-13)8-9-2-4-10(5-3-9)20-14(16,17)18/h2-7,12,19H,8H2,1H3
InChIKeyHHWZZWCYWBOMJD-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 62601116
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843418
1-(3-chlorothiophen-2-yl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 80529156
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
N-[1-(3-chlorothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]propan-1-amine
CID 80529320
1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361690
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 80529216
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 79954567

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine (CID 115843408) is 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine is CNC(Cc1ccc(OC(F)(F)F)cc1)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is HHWZZWCYWBOMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NOS/c1-19-12(13-11(15)6-7-21-13)8-9-2-4-10(5-3-9)20-14(16,17)18/h2-7,12,19H,8H2,1H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 335.78 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 115843408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).