2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol

C11H19NO3 — CID 115880076

IUPAC2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1ccc(CO)o1
InChIInChI=1S/C11H19NO3/c1-9(2)12(5-6-13)7-10-3-4-11(8-14)15-10/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyVGKIBDFDQBDTSN-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.97
Rot. Bonds6

About 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol

2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol (PubChem CID 115880076) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
PubChem CID115880076
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)Cc1ccc(CO)o1
InChIInChI=1S/C11H19NO3/c1-9(2)12(5-6-13)7-10-3-4-11(8-14)15-10/h3-4,9,13-14H,5-8H2,1-2H3
InChIKeyVGKIBDFDQBDTSN-UHFFFAOYSA-N
XLogP0.97
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Morpholin-4-ylmethyl-furan-2-carboxylic acid
CID 580530
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
(5-(Aminomethyl)furan-2-yl)methanol
CID 448213
5-((Piperidin-1-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 2836318
5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 653379
5-(1-Pyrrolidinylmethyl)-2-furanmethanol
CID 16494992
2-{Bis[(5-methylfuran-2-yl)methyl]amino}ethanol
CID 3431204
5-((Morpholin-4-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 5331361
5-[(Methylamino)methyl]-2-furanmethanol
CID 14671747
Methyl 5-[(diallylamino)methyl]-2-furoate
CID 744605
Ammonium, (5-hydroxymethylfurfuryl)trimethyl-, iodide
CID 47947
5-[(Diethylamino)methyl]-2-furoic acid
CID 806439

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol (CID 115880076) is 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol is CC(C)N(CCO)Cc1ccc(CO)o1.
What is the InChIKey of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
The InChIKey is VGKIBDFDQBDTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(2)12(5-6-13)7-10-3-4-11(8-14)15-10/h3-4,9,13-14H,5-8H2,1-2H3.
What are the key properties of 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol?
2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol has a molecular weight of 213.28 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 115880076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).