1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol

C13H23NO2 — CID 115719534

IUPAC1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CNC(C)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-5-10(2)13(4,15)9-14-11(3)12-6-7-16-8-12/h6-8,10-11,14-15H,5,9H2,1-4H3
InChIKeyJJODYAOGCLFYJU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.73
Rot. Bonds6

About 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol

1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol (PubChem CID 115719534) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
PubChem CID115719534
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)CNC(C)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-5-10(2)13(4,15)9-14-11(3)12-6-7-16-8-12/h6-8,10-11,14-15H,5,9H2,1-4H3
InChIKeyJJODYAOGCLFYJU-UHFFFAOYSA-N
XLogP2.73
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 103898963
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
N-[1-(furan-3-yl)ethyl]-2-methylprop-2-en-1-amine
CID 104579893
3-[1-(furan-3-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926019
[5-[[1-(furan-3-yl)ethylamino]methyl]furan-2-yl]methanol
CID 115711896
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706
1-(furan-3-yl)-2,2-dimethylbutan-1-ol
CID 115797313
3-fluoro-4-[1-[(2-hydroxy-2,3-dimethylpentyl)amino]ethyl]benzonitrile
CID 110028608
tert-butyl N-[2-[1-(furan-3-yl)ethylamino]ethyl]-N-methylcarbamate
CID 103780651
3-[1-(furan-3-yl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 112700173
1-(furan-3-yl)-N-[(1-propylcyclobutyl)methyl]ethanamine
CID 115893822
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol (CID 115719534) is 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)CNC(C)c1ccoc1.
What is the InChIKey of 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol?
The InChIKey is JJODYAOGCLFYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-10(2)13(4,15)9-14-11(3)12-6-7-16-8-12/h6-8,10-11,14-15H,5,9H2,1-4H3.
What are the key properties of 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol?
1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-3-yl)ethylamino]-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 115719534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).