1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C11H13ClF3NS — CID 113260353

IUPAC1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NS/c1-8(9-2-4-10(12)5-3-9)16-6-7-17-11(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyYBJIOZIYUVKOIF-UHFFFAOYSA-N
MW283.75 g/mol
LogP4.24
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 113260353) has the molecular formula C11H13ClF3NS and a molecular weight of 283.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID113260353
Molecular FormulaC11H13ClF3NS
Molecular Weight283.75 g/mol
Exact Mass283.04
IUPAC Name1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NS/c1-8(9-2-4-10(12)5-3-9)16-6-7-17-11(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyYBJIOZIYUVKOIF-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106426895
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
1-(5-chlorothiophen-3-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 102976447
N-[(1R)-1-(4-chlorophenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 81356230
(1R)-1-pyridin-3-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891295
(1S)-1-(3-bromophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891274
1-(4-chlorophenyl)-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 115889012
N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43177996
N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710733
(1S)-1-thiophen-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 104891288
1-(2-methylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710760

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 113260353) is 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CC(NCCSC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is YBJIOZIYUVKOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NS/c1-8(9-2-4-10(12)5-3-9)16-6-7-17-11(13,14)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 283.75 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 113260353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).