N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

C17H19F3N2S — CID 46998508

IUPACN-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCN(CCCSc1ccccc1)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N2S/c1-22(10-5-11-23-15-6-3-2-4-7-15)13-14-8-9-16(21-12-14)17(18,19)20/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyGXJSUVHDLHESJT-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.71
Rot. Bonds7

About N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine

N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (PubChem CID 46998508) has the molecular formula C17H19F3N2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
PubChem CID46998508
Molecular FormulaC17H19F3N2S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC NameN-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
SMILESCN(CCCSc1ccccc1)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H19F3N2S/c1-22(10-5-11-23-15-6-3-2-4-7-15)13-14-8-9-16(21-12-14)17(18,19)20/h2-4,6-9,12H,5,10-11,13H2,1H3
InChIKeyGXJSUVHDLHESJT-UHFFFAOYSA-N
XLogP4.71
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Sulfoxaflor
CID 16723172
4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
CID 3642065
Dimethyl({2-[(6-phenylpyridin-2-yl)sulfanyl]ethyl})amine
CID 9881600
(E)-2-(2,4-difluorostyryl)-5-(phenylsulfinyl)pyridine
CID 21099470
Pyridine, 2-(4-trifluoromethylbenzylthio)-
CID 556666
2-{2-[(4-Fluorophenyl)sulfanyl]ethyl}pyridine
CID 761521
4-(2-(Phenylthio)ethyl)pyridine
CID 88779
2-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}pyridine
CID 5713317
(E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine
CID 44439386
3-[2-(4-Tert-butylphenyl)sulfanylethyl]pyridine
CID 912284
2-{[2-(Phenylsulfonyl)ethyl]thio}-5-(trifluoromethyl)pyridine
CID 2820396
N-(2-cyanoethyl)-2-phenylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 4878299

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine (CID 46998508) is N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is CN(CCCSc1ccccc1)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is GXJSUVHDLHESJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2S/c1-22(10-5-11-23-15-6-3-2-4-7-15)13-14-8-9-16(21-12-14)17(18,19)20/h2-4,6-9,12H,5,10-11,13H2,1H3.
What are the key properties of N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine?
N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 340.41 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 46998508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).