3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol

C15H15F3N2O — CID 165448439

IUPAC3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
SMILESOC(CNCc1ccccc1)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)14(21,13-7-4-8-19-10-13)11-20-9-12-5-2-1-3-6-12/h1-8,10,20-21H,9,11H2
InChIKeyRPSREISFWJTBAF-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.62
Rot. Bonds5

About 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol

3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol (PubChem CID 165448439) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

Compound Name3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
PubChem CID165448439
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
SMILESOC(CNCc1ccccc1)(c1cccnc1)C(F)(F)F
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)14(21,13-7-4-8-19-10-13)11-20-9-12-5-2-1-3-6-12/h1-8,10,20-21H,9,11H2
InChIKeyRPSREISFWJTBAF-UHFFFAOYSA-N
XLogP2.62
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
The IUPAC name of 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol (CID 165448439) is 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol.
What is the SMILES notation for 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
The canonical SMILES for 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol is OC(CNCc1ccccc1)(c1cccnc1)C(F)(F)F.
What is the InChIKey of 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
The InChIKey is RPSREISFWJTBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)14(21,13-7-4-8-19-10-13)11-20-9-12-5-2-1-3-6-12/h1-8,10,20-21H,9,11H2.
What are the key properties of 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol?
3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol has a molecular weight of 296.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 165448439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).