N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine

C13H18F3NS — CID 65128216

IUPACN-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(CSCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NS/c1-3-17-12(9-18-4-2)10-7-5-6-8-11(10)13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyZPWCSEYHHQPQLS-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine

N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65128216) has the molecular formula C13H18F3NS and a molecular weight of 277.36 g/mol. Its IUPAC name is N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID65128216
Molecular FormulaC13H18F3NS
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC NameN-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCCNC(CSCC)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NS/c1-3-17-12(9-18-4-2)10-7-5-6-8-11(10)13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3
InChIKeyZPWCSEYHHQPQLS-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethylsulfanyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 65128452
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507
N-ethyl-1-[2-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 104987286
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
N-ethyl-3-methoxy-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62800996
1-(2,3-difluorophenyl)-N-ethyl-2-ethylsulfanylethanamine
CID 65128040
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608
N-ethyl-2-(1-methylpyrazol-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105025280
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
(1S)-N-methyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 24890731
N-ethyl-2-ethylsulfanyl-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807322
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 65128216) is N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine is CCNC(CSCC)c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is ZPWCSEYHHQPQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-3-17-12(9-18-4-2)10-7-5-6-8-11(10)13(14,15)16/h5-8,12,17H,3-4,9H2,1-2H3.
What are the key properties of N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 277.36 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-ethylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65128216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).