3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol

C12H17FN2O2 — CID 103904763

IUPAC3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(10-4-11(13)6-14-5-10)15-7-12(16)2-3-17-8-12/h4-6,9,15-16H,2-3,7-8H2,1H3
InChIKeyIIHMDAMWVHBHBZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.02
Rot. Bonds4

About 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol

3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol (PubChem CID 103904763) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
PubChem CID103904763
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-9(10-4-11(13)6-14-5-10)15-7-12(16)2-3-17-8-12/h4-6,9,15-16H,2-3,7-8H2,1H3
InChIKeyIIHMDAMWVHBHBZ-UHFFFAOYSA-N
XLogP1.02
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]oxolan-3-ol
CID 97108282
(3R)-3-[[[(1R)-1-(4-bromo-3-methylphenyl)ethyl]amino]methyl]oxolan-3-ol
CID 100679283
1-[1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]cyclopropyl]-2-methylpropan-1-ol
CID 75445050
3-[[1-(4-chlorophenyl)ethylamino]methyl]oxolan-3-ol
CID 103904766
3-[[1-(3-methylphenyl)ethylamino]methyl]oxolan-3-ol
CID 103904871
1-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]-N,N-dimethylcyclohexan-1-amine
CID 103776011
3-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]methyl]oxolan-3-ol
CID 103904838
1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614
3-[(1-thiophen-3-ylethylamino)methyl]oxolan-3-ol
CID 115896443
3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]methyl]oxolan-3-ol
CID 103904784
3-[[1-(1-phenylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 103904875
3-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 115896432

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol (CID 103904763) is 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)c1cncc(F)c1.
What is the InChIKey of 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol?
The InChIKey is IIHMDAMWVHBHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(10-4-11(13)6-14-5-10)15-7-12(16)2-3-17-8-12/h4-6,9,15-16H,2-3,7-8H2,1H3.
What are the key properties of 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol?
3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol has a molecular weight of 240.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]oxolan-3-ol is sourced from PubChem (CID 103904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).