N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline

C15H15F3N2OS — CID 144783967

IUPACN-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline
SMILESCNc1cccc(SC)c1COc1ncccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2OS/c1-19-12-6-3-7-13(22-2)10(12)9-21-14-11(15(16,17)18)5-4-8-20-14/h3-8,19H,9H2,1-2H3
InChIKeyMLWASAIAGOJVCV-UHFFFAOYSA-N
MW328.36 g/mol
LogP4.44
Rot. Bonds5

About N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline

N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline (PubChem CID 144783967) has the molecular formula C15H15F3N2OS and a molecular weight of 328.36 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline
PubChem CID144783967
Molecular FormulaC15H15F3N2OS
Molecular Weight328.36 g/mol
Exact Mass328.09
IUPAC NameN-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline
SMILESCNc1cccc(SC)c1COc1ncccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2OS/c1-19-12-6-3-7-13(22-2)10(12)9-21-14-11(15(16,17)18)5-4-8-20-14/h3-8,19H,9H2,1-2H3
InChIKeyMLWASAIAGOJVCV-UHFFFAOYSA-N
XLogP4.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline
CID 144784676
2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline
CID 144784163
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
methyl 2-methylsulfanyl-6-(trifluoromethyl)benzoate
CID 91880964
2-butan-2-yloxy-3-(trifluoromethyl)pyridine
CID 150604612
2-fluoro-6-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylamino]benzonitrile
CID 133398730
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethanamine;hydrochloride
CID 71756841
O-[3-(trifluoromethyl)-2-pyridinyl]hydroxylamine
CID 75176185
[2-[(3-methyl-2-pyridinyl)oxymethyl]-3-(trifluoromethyl)phenyl] cyanate
CID 144783973
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline?
The IUPAC name of N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline (CID 144783967) is N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline.
What is the SMILES notation for N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline?
The canonical SMILES for N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline is CNc1cccc(SC)c1COc1ncccc1C(F)(F)F.
What is the InChIKey of N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline?
The InChIKey is MLWASAIAGOJVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS/c1-19-12-6-3-7-13(22-2)10(12)9-21-14-11(15(16,17)18)5-4-8-20-14/h3-8,19H,9H2,1-2H3.
What are the key properties of N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline?
N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline has a molecular weight of 328.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-2-[[3-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline is sourced from PubChem (CID 144783967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).