2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol

C13H19FN2O — CID 84586158

IUPAC2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)(CNc1ncccc1F)C1CCCC1
InChIInChI=1S/C13H19FN2O/c1-13(17,10-5-2-3-6-10)9-16-12-11(14)7-4-8-15-12/h4,7-8,10,17H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyFTFCBGPPKMZIPK-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.57
Rot. Bonds4

About 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol

2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol (PubChem CID 84586158) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol.

Molecular Properties

Compound Name2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol
PubChem CID84586158
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol
SMILESCC(O)(CNc1ncccc1F)C1CCCC1
InChIInChI=1S/C13H19FN2O/c1-13(17,10-5-2-3-6-10)9-16-12-11(14)7-4-8-15-12/h4,7-8,10,17H,2-3,5-6,9H2,1H3,(H,15,16)
InChIKeyFTFCBGPPKMZIPK-UHFFFAOYSA-N
XLogP2.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol?
The IUPAC name of 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol (CID 84586158) is 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol.
What is the SMILES notation for 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol?
The canonical SMILES for 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol is CC(O)(CNc1ncccc1F)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol?
The InChIKey is FTFCBGPPKMZIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(17,10-5-2-3-6-10)9-16-12-11(14)7-4-8-15-12/h4,7-8,10,17H,2-3,5-6,9H2,1H3,(H,15,16).
What are the key properties of 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol?
2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol has a molecular weight of 238.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[(3-fluoro-2-pyridinyl)amino]propan-2-ol is sourced from PubChem (CID 84586158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).