3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol

C12H21NO3 — CID 103993461

IUPAC3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC(O)c1ccco1
InChIInChI=1S/C12H21NO3/c1-11(2,12(3,4)15)13-8-9(14)10-6-5-7-16-10/h5-7,9,13-15H,8H2,1-4H3
InChIKeyGARUELCBITVOAB-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.45
Rot. Bonds5

About 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol

3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 103993461) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
PubChem CID103993461
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCC(O)c1ccco1
InChIInChI=1S/C12H21NO3/c1-11(2,12(3,4)15)13-8-9(14)10-6-5-7-16-10/h5-7,9,13-15H,8H2,1-4H3
InChIKeyGARUELCBITVOAB-UHFFFAOYSA-N
XLogP1.45
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852360
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
N-[2-(furan-2-yl)-2-hydroxyethyl]-2,2,4-trimethylpentanamide
CID 111971968
1-(furan-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 103027526
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-methylthiourea
CID 131207302
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
1-(furan-2-yl)-2-(4-methoxybutylamino)ethanol
CID 60969452
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
1-(furan-2-yl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79779478

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol (CID 103993461) is 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCC(O)c1ccco1.
What is the InChIKey of 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is GARUELCBITVOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2,12(3,4)15)13-8-9(14)10-6-5-7-16-10/h5-7,9,13-15H,8H2,1-4H3.
What are the key properties of 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol?
3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 227.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103993461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).