1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol

C11H17NO3 — CID 115454702

IUPAC1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
SMILESOCC1(CNCC(O)c2ccco2)CC1
InChIInChI=1S/C11H17NO3/c13-8-11(3-4-11)7-12-6-9(14)10-2-1-5-15-10/h1-2,5,9,12-14H,3-4,6-8H2
InChIKeyKAVMKBLKWDSZDY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.68
Rot. Bonds6

About 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol

1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol (PubChem CID 115454702) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
PubChem CID115454702
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol
SMILESOCC1(CNCC(O)c2ccco2)CC1
InChIInChI=1S/C11H17NO3/c13-8-11(3-4-11)7-12-6-9(14)10-2-1-5-15-10/h1-2,5,9,12-14H,3-4,6-8H2
InChIKeyKAVMKBLKWDSZDY-UHFFFAOYSA-N
XLogP0.68
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-2-[(4-methyloxan-4-yl)methylamino]ethanol
CID 113429693
1-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]-3-methylcyclohexan-1-ol
CID 65120971
1-cyclopropyl-2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]ethanol
CID 63296627
1-(furan-2-yl)-2-(3-methylbut-2-enylamino)ethanol
CID 106546957
2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-1-phenylethanol
CID 114756302
4-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133141
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852360
[1-[[2-(furan-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81412953
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-1-pyrrolidin-1-ylethanone
CID 113406015
2-[(2,2-dimethylcyclopropyl)amino]-1-(furan-2-yl)ethanol
CID 61223910
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-N-methylacetamide
CID 60901417
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 115454706

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol (CID 115454702) is 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol is OCC1(CNCC(O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol?
The InChIKey is KAVMKBLKWDSZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c13-8-11(3-4-11)7-12-6-9(14)10-2-1-5-15-10/h1-2,5,9,12-14H,3-4,6-8H2.
What are the key properties of 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol?
1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethanol is sourced from PubChem (CID 115454702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).