1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol

C12H19NO3 — CID 103878951

IUPAC1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol
SMILESOC(CNCCC1CCOC1)c1ccco1
InChIInChI=1S/C12H19NO3/c14-11(12-2-1-6-16-12)8-13-5-3-10-4-7-15-9-10/h1-2,6,10-11,13-14H,3-5,7-9H2
InChIKeyULIJIIGVKNYQNA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.33
Rot. Bonds6

About 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol

1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol (PubChem CID 103878951) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol
PubChem CID103878951
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol
SMILESOC(CNCCC1CCOC1)c1ccco1
InChIInChI=1S/C12H19NO3/c14-11(12-2-1-6-16-12)8-13-5-3-10-4-7-15-9-10/h1-2,6,10-11,13-14H,3-5,7-9H2
InChIKeyULIJIIGVKNYQNA-UHFFFAOYSA-N
XLogP1.33
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.33
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

4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133141
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105265938
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497
1-methoxy-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
CID 102672307
N-[1-(furan-2-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987494
1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
CID 113429693
N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
methyl 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoate
CID 60925426
2-[2-(cyclopenten-1-yl)ethylamino]-1-(furan-2-yl)ethanol
CID 106173893
N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol (CID 103878951) is 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol is OC(CNCCC1CCOC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol?
The InChIKey is ULIJIIGVKNYQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-11(12-2-1-6-16-12)8-13-5-3-10-4-7-15-9-10/h1-2,6,10-11,13-14H,3-5,7-9H2.
What are the key properties of 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol?
1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[2-(oxolan-3-yl)ethylamino]ethanol is sourced from PubChem (CID 103878951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).