1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol

C11H17NO3 — CID 115689533

IUPAC1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol
SMILESCc1ccc(C(O)CNC2CCOC2)o1
InChIInChI=1S/C11H17NO3/c1-8-2-3-11(15-8)10(13)6-12-9-4-5-14-7-9/h2-3,9-10,12-13H,4-7H2,1H3
InChIKeyZFLBHCQLZOGWNH-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.00
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol

1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol (PubChem CID 115689533) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol
PubChem CID115689533
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol
SMILESCc1ccc(C(O)CNC2CCOC2)o1
InChIInChI=1S/C11H17NO3/c1-8-2-3-11(15-8)10(13)6-12-9-4-5-14-7-9/h2-3,9-10,12-13H,4-7H2,1H3
InChIKeyZFLBHCQLZOGWNH-UHFFFAOYSA-N
XLogP1.00
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylmethylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115907721
4-[1-hydroxy-2-(oxolan-3-ylamino)ethyl]benzonitrile
CID 80713472
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
1-(5-methylfuran-2-yl)-2-[[(1R,5S)-5-propan-2-yl-2-bicyclo[3.1.0]hexanyl]amino]ethanol
CID 166304176
N-(2,2-diphenylethyl)oxolan-3-amine
CID 103748167
N-[(5-methylfuran-2-yl)methyl]oxan-3-amine
CID 63360041
(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
CID 97246443
1-(5-methylfuran-2-yl)propan-1-ol
CID 14570731
2-(2,2-dimethylpropylamino)-1-(5-methylfuran-2-yl)ethanol
CID 115646640
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
[3,3-dimethyl-1-(oxolan-3-ylamino)butan-2-yl]carbamic acid
CID 67085234
1-(4-methylphenoxy)-3-(oxan-4-ylamino)propan-2-ol;hydrochloride
CID 122714533

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol (CID 115689533) is 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol is Cc1ccc(C(O)CNC2CCOC2)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol?
The InChIKey is ZFLBHCQLZOGWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8-2-3-11(15-8)10(13)6-12-9-4-5-14-7-9/h2-3,9-10,12-13H,4-7H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol?
1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol has a molecular weight of 211.26 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-(oxolan-3-ylamino)ethanol is sourced from PubChem (CID 115689533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).