3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol

C10H15FN2O — CID 83117272

IUPAC3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
SMILESCC(NCCCO)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-8(12-5-2-6-14)10-4-3-9(11)7-13-10/h3-4,7-8,12,14H,2,5-6H2,1H3
InChIKeyZEOOYOXYEJWGTQ-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.25
Rot. Bonds5

About 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol

3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol (PubChem CID 83117272) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
PubChem CID83117272
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
SMILESCC(NCCCO)c1ccc(F)cn1
InChIInChI=1S/C10H15FN2O/c1-8(12-5-2-6-14)10-4-3-9(11)7-13-10/h3-4,7-8,12,14H,2,5-6H2,1H3
InChIKeyZEOOYOXYEJWGTQ-UHFFFAOYSA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.25
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

5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
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
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
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
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol (CID 83117272) is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol is CC(NCCCO)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
The InChIKey is ZEOOYOXYEJWGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-8(12-5-2-6-14)10-4-3-9(11)7-13-10/h3-4,7-8,12,14H,2,5-6H2,1H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol?
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol is sourced from PubChem (CID 83117272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).