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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Related Compounds

3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784
(1S)-1-(4-fluorophenyl)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 1470738
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
2-methyl-1-(pyridin-3-ylmethylamino)butan-2-ol
CID 63934733
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
1-fluoro-2-pyridin-3-ylpropan-2-ol
CID 89407695
1,1,2-tripyridin-3-ylethanol
CID 57425683
(1S)-1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]-1-phenylethanol
CID 7036964

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).