1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol

C15H15F3N2O2S — CID 2809221

IUPAC1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
SMILESNc1ccccc1SCC(O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N2O2S/c16-15(17,18)13-6-3-7-14(20-13)22-8-10(21)9-23-12-5-2-1-4-11(12)19/h1-7,10,21H,8-9,19H2
InChIKeyZNSCJKGULBHUGS-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.21
Rot. Bonds6

About 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol

1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol (PubChem CID 2809221) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
PubChem CID2809221
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol
SMILESNc1ccccc1SCC(O)COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F3N2O2S/c16-15(17,18)13-6-3-7-14(20-13)22-8-10(21)9-23-12-5-2-1-4-11(12)19/h1-7,10,21H,8-9,19H2
InChIKeyZNSCJKGULBHUGS-UHFFFAOYSA-N
XLogP3.21
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
The IUPAC name of 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol (CID 2809221) is 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
The canonical SMILES for 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol is Nc1ccccc1SCC(O)COc1cccc(C(F)(F)F)n1.
What is the InChIKey of 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
The InChIKey is ZNSCJKGULBHUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c16-15(17,18)13-6-3-7-14(20-13)22-8-10(21)9-23-12-5-2-1-4-11(12)19/h1-7,10,21H,8-9,19H2.
What are the key properties of 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol?
1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol has a molecular weight of 344.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)sulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 2809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).