5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol

C12H19FN2O — CID 107303084

IUPAC5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
SMILESCC(NCCCCCO)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-10(14-7-3-2-4-8-16)12-6-5-11(13)9-15-12/h5-6,9-10,14,16H,2-4,7-8H2,1H3
InChIKeyJCNBHLFOHAVTRM-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.03
Rot. Bonds7

About 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol

5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol (PubChem CID 107303084) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
PubChem CID107303084
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
SMILESCC(NCCCCCO)c1ccc(F)cn1
InChIInChI=1S/C12H19FN2O/c1-10(14-7-3-2-4-8-16)12-6-5-11(13)9-15-12/h5-6,9-10,14,16H,2-4,7-8H2,1H3
InChIKeyJCNBHLFOHAVTRM-UHFFFAOYSA-N
XLogP2.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
CID 83209734
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
CID 83119801

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol?
The IUPAC name of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol (CID 107303084) is 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol.
What is the SMILES notation for 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol?
The canonical SMILES for 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol is CC(NCCCCCO)c1ccc(F)cn1.
What is the InChIKey of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol?
The InChIKey is JCNBHLFOHAVTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-10(14-7-3-2-4-8-16)12-6-5-11(13)9-15-12/h5-6,9-10,14,16H,2-4,7-8H2,1H3.
What are the key properties of 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol?
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol has a molecular weight of 226.29 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol is sourced from PubChem (CID 107303084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).