2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol

C13H23NO2 — CID 79063322

IUPAC2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-5-13(4,14(6-2)7-3)12(15)11-8-9-16-10-11/h8-10,12,15H,5-7H2,1-4H3
InChIKeyONXSVQULEOHZJH-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.82
Rot. Bonds6

About 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol

2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol (PubChem CID 79063322) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
PubChem CID79063322
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol
SMILESCCN(CC)C(C)(CC)C(O)c1ccoc1
InChIInChI=1S/C13H23NO2/c1-5-13(4,14(6-2)7-3)12(15)11-8-9-16-10-11/h8-10,12,15H,5-7H2,1-4H3
InChIKeyONXSVQULEOHZJH-UHFFFAOYSA-N
XLogP2.82
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol (CID 79063322) is 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol is CCN(CC)C(C)(CC)C(O)c1ccoc1.
What is the InChIKey of 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol?
The InChIKey is ONXSVQULEOHZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-5-13(4,14(6-2)7-3)12(15)11-8-9-16-10-11/h8-10,12,15H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol?
2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol has a molecular weight of 225.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(furan-3-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 79063322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).