2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

C14H20F3NOS — CID 65136492

IUPAC2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCCC(C)SCC(NC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NOS/c1-4-10(2)20-9-12(18-3)11-7-5-6-8-13(11)19-14(15,16)17/h5-8,10,12,18H,4,9H2,1-3H3
InChIKeyBZNOHRNKAVKAIK-UHFFFAOYSA-N
MW307.38 g/mol
LogP4.38
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 65136492) has the molecular formula C14H20F3NOS and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID65136492
Molecular FormulaC14H20F3NOS
Molecular Weight307.38 g/mol
Exact Mass307.12
IUPAC Name2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCCC(C)SCC(NC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H20F3NOS/c1-4-10(2)20-9-12(18-3)11-7-5-6-8-13(11)19-14(15,16)17/h5-8,10,12,18H,4,9H2,1-3H3
InChIKeyBZNOHRNKAVKAIK-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
2-butan-2-ylsulfanyl-N-methyl-1-phenylethanamine
CID 64613225
3-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-1-ol
CID 66138442
2-butan-2-ylsulfanyl-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 64612602
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
2-butan-2-ylsulfanyl-1-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 65136022
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65133009
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 65136492) is 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is CCC(C)SCC(NC)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is BZNOHRNKAVKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NOS/c1-4-10(2)20-9-12(18-3)11-7-5-6-8-13(11)19-14(15,16)17/h5-8,10,12,18H,4,9H2,1-3H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 307.38 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 65136492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).