2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol

C11H17FN2O2 — CID 66037072

IUPAC2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cncc(F)c1
InChIInChI=1S/C11H17FN2O2/c1-11(15,8-13-3-4-16-2)9-5-10(12)7-14-6-9/h5-7,13,15H,3-4,8H2,1-2H3
InChIKeyKRJSWLIZGWRVRW-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.66
Rot. Bonds6

About 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol

2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 66037072) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID66037072
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cncc(F)c1
InChIInChI=1S/C11H17FN2O2/c1-11(15,8-13-3-4-16-2)9-5-10(12)7-14-6-9/h5-7,13,15H,3-4,8H2,1-2H3
InChIKeyKRJSWLIZGWRVRW-UHFFFAOYSA-N
XLogP0.66
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol
CID 66039605
ethyl 2-(5-fluoro-3-pyridinyl)-2-(2-methoxyethylamino)propanoate
CID 114080606
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
3-(5-fluoro-3-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503068
2-(2,4-dichloro-5-fluorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62774391
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
1-(2-methoxyethylamino)-2-[2-methyl-4-(trifluoromethyl)phenyl]propan-2-ol
CID 102756270
2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 114607159

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol (CID 66037072) is 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1cncc(F)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is KRJSWLIZGWRVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-11(15,8-13-3-4-16-2)9-5-10(12)7-14-6-9/h5-7,13,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol?
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 66037072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).