N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

C12H12F3NS — CID 115257994

IUPACN-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1csc2ccccc12)CC(F)(F)F
InChIInChI=1S/C12H12F3NS/c1-16(8-12(13,14)15)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7H,6,8H2,1H3
InChIKeyLBFWORAZJOTWNE-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.90
Rot. Bonds3

About N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine

N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 115257994) has the molecular formula C12H12F3NS and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID115257994
Molecular FormulaC12H12F3NS
Molecular Weight259.30 g/mol
Exact Mass259.06
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1csc2ccccc12)CC(F)(F)F
InChIInChI=1S/C12H12F3NS/c1-16(8-12(13,14)15)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7H,6,8H2,1H3
InChIKeyLBFWORAZJOTWNE-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
3-[1-benzothiophen-3-ylmethyl(methyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 138045748
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737039
1-[1-benzothiophen-3-ylmethyl(methyl)amino]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 167921704
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
3-[1-benzothiophen-3-ylmethyl(methyl)amino]propanoic acid;hydrochloride
CID 172907533
4-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 63737038
1-N-[2-(1-benzothiophen-3-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136311
N-(1-benzothiophen-3-ylmethyl)-3-methoxy-N,2-dimethylpropan-1-amine
CID 126804186
2-[[1-benzothiophen-3-ylmethyl(methyl)amino]methyl]butan-1-ol
CID 115250957
(E)-4-[1-benzothiophen-3-ylmethyl(methyl)amino]but-2-enoic acid
CID 115237240
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine (CID 115257994) is N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is CN(Cc1csc2ccccc12)CC(F)(F)F.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is LBFWORAZJOTWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NS/c1-16(8-12(13,14)15)6-9-7-17-11-5-3-2-4-10(9)11/h2-5,7H,6,8H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine?
N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 259.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 115257994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).