(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol

C12H19FN2O — CID 103952261

IUPAC(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
SMILESCC(C)C(NC[C@@H](C)O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-8(2)12(15-6-9(3)16)11-5-4-10(13)7-14-11/h4-5,7-9,12,15-16H,6H2,1-3H3/t9-,12?/m1/s1
InChIKeyKZCSVOQOQMDAOW-PKEIRNPWSA-N
MW226.29 g/mol
LogP1.89
Rot. Bonds5

About (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol

(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol (PubChem CID 103952261) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
PubChem CID103952261
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
SMILESCC(C)C(NC[C@@H](C)O)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-8(2)12(15-6-9(3)16)11-5-4-10(13)7-14-11/h4-5,7-9,12,15-16H,6H2,1-3H3/t9-,12?/m1/s1
InChIKeyKZCSVOQOQMDAOW-PKEIRNPWSA-N
XLogP1.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol (CID 103952261) is (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol is CC(C)C(NC[C@@H](C)O)c1ccc(F)cn1.
What is the InChIKey of (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol?
The InChIKey is KZCSVOQOQMDAOW-PKEIRNPWSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8(2)12(15-6-9(3)16)11-5-4-10(13)7-14-11/h4-5,7-9,12,15-16H,6H2,1-3H3/t9-,12?/m1/s1.
What are the key properties of (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol?
(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol has a molecular weight of 226.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol is sourced from PubChem (CID 103952261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).