N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

C15H15F3N2S — CID 102708230

IUPACN-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCNC(CSc1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2S/c1-19-14(10-21-11-5-3-2-4-6-11)12-9-20-8-7-13(12)15(16,17)18/h2-9,14,19H,10H2,1H3
InChIKeyLCHNRSJRKUOMOW-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.15
Rot. Bonds5

About N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine

N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 102708230) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID102708230
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC NameN-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESCNC(CSc1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2S/c1-19-14(10-21-11-5-3-2-4-6-11)12-9-20-8-7-13(12)15(16,17)18/h2-9,14,19H,10H2,1H3
InChIKeyLCHNRSJRKUOMOW-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708033
N,3,4,4-tetramethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-amine
CID 102710096
N-methyl-3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 102709971
N-methyl-2-thiophen-2-yl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102708107
[2-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]hydrazine
CID 102710309
N,2-dimethyl-3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-amine
CID 114222081
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707834
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
2,2-difluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 103517276
[3-methylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]propyl]hydrazine
CID 102710527

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 102708230) is N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is CNC(CSc1ccccc1)c1cnccc1C(F)(F)F.
What is the InChIKey of N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is LCHNRSJRKUOMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-19-14(10-21-11-5-3-2-4-6-11)12-9-20-8-7-13(12)15(16,17)18/h2-9,14,19H,10H2,1H3.
What are the key properties of N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine?
N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 312.36 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylsulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 102708230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).