N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine

C14H14F3NOS — CID 62790932

IUPACN-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1cccs1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3NOS/c1-18-12(9-10-5-4-8-20-10)11-6-2-3-7-13(11)19-14(15,16)17/h2-8,12,18H,9H2,1H3
InChIKeyUVCJELYNUGBMRI-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine

N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 62790932) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID62790932
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC NameN-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(Cc1cccs1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H14F3NOS/c1-18-12(9-10-5-4-8-20-10)11-6-2-3-7-13(11)19-14(15,16)17/h2-8,12,18H,9H2,1H3
InChIKeyUVCJELYNUGBMRI-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-3-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81477797
1-(2-methoxyphenyl)-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 105093570
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708107
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141555
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
[2-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105295517
N-methyl-2-thiophen-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 105134087
1-(2-bromo-5-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81112647
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
1-(2-fluorophenyl)-N,N'-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62645349
1-(2-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfinylethanamine
CID 64651150

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 62790932) is N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine is CNC(Cc1cccs1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is UVCJELYNUGBMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-18-12(9-10-5-4-8-20-10)11-6-2-3-7-13(11)19-14(15,16)17/h2-8,12,18H,9H2,1H3.
What are the key properties of N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 301.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-thiophen-2-yl-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 62790932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).