N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine

C11H14F3NS — CID 64661334

IUPACN-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(SCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NS/c1-8(15-2)9-4-3-5-10(6-9)16-7-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyOYELSDCZMUZODD-UHFFFAOYSA-N
MW249.30 g/mol
LogP3.62
Rot. Bonds4

About N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine

N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine (PubChem CID 64661334) has the molecular formula C11H14F3NS and a molecular weight of 249.30 g/mol. Its IUPAC name is N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
PubChem CID64661334
Molecular FormulaC11H14F3NS
Molecular Weight249.30 g/mol
Exact Mass249.08
IUPAC NameN-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
SMILESCNC(C)c1cccc(SCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NS/c1-8(15-2)9-4-3-5-10(6-9)16-7-11(12,13)14/h3-6,8,15H,7H2,1-2H3
InChIKeyOYELSDCZMUZODD-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-2-ol
CID 114497016
N-methyl-1-(3-propan-2-ylsulfanylphenyl)ethanamine
CID 64663343
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
methyl 2,2-dimethyl-3-[3-[1-(methylamino)ethyl]phenyl]sulfanylpropanoate
CID 79631485
1-(3-but-2-enylsulfanylphenyl)-N-methylethanamine
CID 77055277
N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
2-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutanenitrile
CID 64666313
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine
CID 64664208
1-(3-but-3-en-2-ylsulfanylphenyl)-N-methylethanamine
CID 64665485
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178
1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 64663152

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine (CID 64661334) is N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine is CNC(C)c1cccc(SCC(F)(F)F)c1.
What is the InChIKey of N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine?
The InChIKey is OYELSDCZMUZODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NS/c1-8(15-2)9-4-3-5-10(6-9)16-7-11(12,13)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine?
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine has a molecular weight of 249.30 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 64661334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).