(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol

C12H17F3N2O — CID 113355353

IUPAC(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(CC)CC(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2O/c1-3-11(18)10-6-5-9(7-16-10)17(4-2)8-12(13,14)15/h5-7,11,18H,3-4,8H2,1-2H3/t11-/m1/s1
InChIKeyDLJZDAIZKKZPKG-LLVKDONJSA-N
MW262.27 g/mol
LogP2.91
Rot. Bonds5

About (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol

(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol (PubChem CID 113355353) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
PubChem CID113355353
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
SMILESCC[C@@H](O)c1ccc(N(CC)CC(F)(F)F)cn1
InChIInChI=1S/C12H17F3N2O/c1-3-11(18)10-6-5-9(7-16-10)17(4-2)8-12(13,14)15/h5-7,11,18H,3-4,8H2,1-2H3/t11-/m1/s1
InChIKeyDLJZDAIZKKZPKG-LLVKDONJSA-N
XLogP2.91
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 112584364
(1R)-1-[5-[ethyl(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 113355284
(1R)-1-[5-[cyclopropylmethyl(ethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355380
2-[ethyl-[6-(1-hydroxypropyl)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 115940411
(1R)-1-[5-[bis(cyclopropylmethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938804
1-[5-[2-hydroxyethyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585320
1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55010438
(1S)-1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 103938925
1-[5-[propyl(prop-2-ynyl)amino]-2-pyridinyl]propan-1-ol
CID 112585490
(1R)-1-[5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-pyridinyl]propan-1-ol
CID 103938619
1-[5-[methyl(propyl)amino]-2-pyridinyl]propan-1-ol
CID 112585264
(1R)-1-[5-[cyclopropyl(methyl)amino]-2-pyridinyl]propan-1-ol
CID 103938348

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol?
The IUPAC name of (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol (CID 113355353) is (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol?
The canonical SMILES for (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol is CC[C@@H](O)c1ccc(N(CC)CC(F)(F)F)cn1.
What is the InChIKey of (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol?
The InChIKey is DLJZDAIZKKZPKG-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-3-11(18)10-6-5-9(7-16-10)17(4-2)8-12(13,14)15/h5-7,11,18H,3-4,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol?
(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 113355353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).