2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine

C11H14F3NS — CID 78993096

IUPAC2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCN(CCSc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H14F3NS/c1-15(9-11(12,13)14)7-8-16-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyITARHFREVVGFHG-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.27
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine

2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine (PubChem CID 78993096) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
PubChem CID78993096
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC Name2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine
SMILESCN(CCSc1ccccc1)CC(F)(F)F
InChIInChI=1S/C11H14F3NS/c1-15(9-11(12,13)14)7-8-16-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyITARHFREVVGFHG-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N',2,2-trimethyl-N'-(2-phenylsulfanylethyl)propane-1,3-diamine;hydrochloride
CID 119928677
N-(2-phenylsulfanylethyl)-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 79315178
N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylsulfanylethanamine
CID 78962431
N'-methyl-N-phenyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892732
N-methyl-N-(2-phenylsulfanylethyl)-2-pyridin-2-ylethanamine
CID 79319585
N,N-dimethyl-2-[methyl(2-phenylsulfanylethyl)amino]acetamide
CID 78962685
N'-methyl-N'-(2-phenylsulfanylethyl)-N-propan-2-ylethane-1,2-diamine
CID 79221911
N,N,N',N'-tetrakis(2-phenylsulfanylethyl)ethane-1,2-diamine
CID 15762909
4-fluoro-N-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79315040
2-methyl-2-[methyl(2-phenylsulfanylethyl)amino]propanoic acid
CID 79228537
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-phenylsulfanylethanamine
CID 78998004
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892311

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine (CID 78993096) is 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine is CN(CCSc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine?
The InChIKey is ITARHFREVVGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c1-15(9-11(12,13)14)7-8-16-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine?
2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine has a molecular weight of 249.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-(2-phenylsulfanylethyl)ethanamine is sourced from PubChem (CID 78993096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).