1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

C13H14F3NOS — CID 103215996

IUPAC1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cccc2ccsc12
InChIInChI=1S/C13H14F3NOS/c1-17-11(7-18-8-13(14,15)16)10-4-2-3-9-5-6-19-12(9)10/h2-6,11,17H,7-8H2,1H3
InChIKeyUXKCFQHDWFHFQR-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.74
Rot. Bonds5

About 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine

1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 103215996) has the molecular formula C13H14F3NOS and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID103215996
Molecular FormulaC13H14F3NOS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCNC(COCC(F)(F)F)c1cccc2ccsc12
InChIInChI=1S/C13H14F3NOS/c1-17-11(7-18-8-13(14,15)16)10-4-2-3-9-5-6-19-12(9)10/h2-6,11,17H,7-8H2,1H3
InChIKeyUXKCFQHDWFHFQR-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine
CID 105209936
1-(1-benzothiophen-7-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81129107
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083
1-(2,6-difluorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215329
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216476
1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 81128451
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215616
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226376
N-methyl-1-quinolin-3-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103214652
1-(1-benzothiophen-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 81153078

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine (CID 103215996) is 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is CNC(COCC(F)(F)F)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is UXKCFQHDWFHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NOS/c1-17-11(7-18-8-13(14,15)16)10-4-2-3-9-5-6-19-12(9)10/h2-6,11,17H,7-8H2,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine?
1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 289.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 103215996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).