1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine

C13H21NO2 — CID 115846874

IUPAC1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
SMILESCc1cc(C(N)CC2CCOCC2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-7-12(10(2)16-9)13(14)8-11-3-5-15-6-4-11/h7,11,13H,3-6,8,14H2,1-2H3
InChIKeyMTRLZKRTFOFVLU-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine

1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine (PubChem CID 115846874) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
PubChem CID115846874
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine
SMILESCc1cc(C(N)CC2CCOCC2)c(C)o1
InChIInChI=1S/C13H21NO2/c1-9-7-12(10(2)16-9)13(14)8-11-3-5-15-6-4-11/h7,11,13H,3-6,8,14H2,1-2H3
InChIKeyMTRLZKRTFOFVLU-UHFFFAOYSA-N
XLogP2.71
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanol
CID 115789569
(2,5-dimethylfuran-3-yl)-(oxan-4-yl)methanol
CID 115797622
[2-cyclobutyl-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 105310050
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
(1S)-1-(2,5-dimethylfuran-3-yl)-2-methoxyethanamine
CID 130739107
1-(4-bromo-2-fluorophenyl)-2-(oxan-4-yl)ethanamine
CID 114905994
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
(4-butylcyclohexyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 63502788
(3R)-3-amino-3-(2,5-dimethylfuran-3-yl)propanoic acid
CID 55293673
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine (CID 115846874) is 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine is Cc1cc(C(N)CC2CCOCC2)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine?
The InChIKey is MTRLZKRTFOFVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-9-7-12(10(2)16-9)13(14)8-11-3-5-15-6-4-11/h7,11,13H,3-6,8,14H2,1-2H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine?
1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115846874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).