2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol

C12H19FN2O — CID 112585862

IUPAC2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
SMILESCCNC(C)C(O)(CC)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-4-12(16,9(3)14-5-2)11-7-6-10(13)8-15-11/h6-9,14,16H,4-5H2,1-3H3
InChIKeyNZWKFUGTGDUIEN-UHFFFAOYSA-N
MW226.29 g/mol
LogP1.82
Rot. Bonds5

About 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol

2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol (PubChem CID 112585862) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
PubChem CID112585862
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
SMILESCCNC(C)C(O)(CC)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-4-12(16,9(3)14-5-2)11-7-6-10(13)8-15-11/h6-9,14,16H,4-5H2,1-3H3
InChIKeyNZWKFUGTGDUIEN-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid
CID 112586443
N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112586578
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
3-(5-fluoro-2-pyridinyl)-5-methylhexan-3-amine
CID 112585951
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol?
The IUPAC name of 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol (CID 112585862) is 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol.
What is the SMILES notation for 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol?
The canonical SMILES for 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol is CCNC(C)C(O)(CC)c1ccc(F)cn1.
What is the InChIKey of 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol?
The InChIKey is NZWKFUGTGDUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-4-12(16,9(3)14-5-2)11-7-6-10(13)8-15-11/h6-9,14,16H,4-5H2,1-3H3.
What are the key properties of 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol?
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol has a molecular weight of 226.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol is sourced from PubChem (CID 112585862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).