1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine

C15H15F3N2S — CID 43082298

IUPAC1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(SC(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C15H15F3N2S/c1-11(14-4-2-3-9-19-14)20-10-12-5-7-13(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyAWSAFFNTLWSNFB-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.54
Rot. Bonds5

About 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine

1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (PubChem CID 43082298) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
PubChem CID43082298
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
SMILESCC(NCc1ccc(SC(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C15H15F3N2S/c1-11(14-4-2-3-9-19-14)20-10-12-5-7-13(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3
InChIKeyAWSAFFNTLWSNFB-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437978
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
(1R)-1-thiophen-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 29045722
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181276
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28647738
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-1-(5-methyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 97347458
(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 115350727
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
(1R)-N-[(4-bromo-3-methylphenyl)methyl]-1-pyridin-2-ylethanamine
CID 81401570

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine (CID 43082298) is 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine is CC(NCc1ccc(SC(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
The InChIKey is AWSAFFNTLWSNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-11(14-4-2-3-9-19-14)20-10-12-5-7-13(8-6-12)21-15(16,17)18/h2-9,11,20H,10H2,1H3.
What are the key properties of 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine?
1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine has a molecular weight of 312.36 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43082298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).