2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

C15H22F3NOS — CID 65133009

IUPAC2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCCNC(CSC(C)(C)C)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NOS/c1-5-19-12(10-21-14(2,3)4)11-8-6-7-9-13(11)20-15(16,17)18/h6-9,12,19H,5,10H2,1-4H3
InChIKeyIWBFTTPOWLUXOI-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.77
Rot. Bonds6

About 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 65133009) has the molecular formula C15H22F3NOS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID65133009
Molecular FormulaC15H22F3NOS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCCNC(CSC(C)(C)C)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NOS/c1-5-19-12(10-21-14(2,3)4)11-8-6-7-9-13(11)20-15(16,17)18/h6-9,12,19H,5,10H2,1-4H3
InChIKeyIWBFTTPOWLUXOI-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 65236587
2-tert-butylsulfanyl-1-(2,3-difluorophenyl)-N-ethylethanamine
CID 65132740
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
2-tert-butylsulfanyl-1-(2,6-difluorophenyl)-N-ethylethanamine
CID 65133111
2-tert-butylsulfanyl-1-(2,5-dimethoxyphenyl)-N-ethylethanamine
CID 64614286
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
[2-butan-2-ylsulfanyl-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105227240

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 65133009) is 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is CCNC(CSC(C)(C)C)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is IWBFTTPOWLUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NOS/c1-5-19-12(10-21-14(2,3)4)11-8-6-7-9-13(11)20-15(16,17)18/h6-9,12,19H,5,10H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 321.41 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-N-ethyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 65133009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).