2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol

C12H19NO2 — CID 115733135

IUPAC2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol
SMILESOCCC1(CNCc2ccoc2)CCC1
InChIInChI=1S/C12H19NO2/c14-6-5-12(3-1-4-12)10-13-8-11-2-7-15-9-11/h2,7,9,13-14H,1,3-6,8,10H2
InChIKeyFOPLQWKZEBQHPC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.92
Rot. Bonds6

About 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol

2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol (PubChem CID 115733135) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol
PubChem CID115733135
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol
SMILESOCCC1(CNCc2ccoc2)CCC1
InChIInChI=1S/C12H19NO2/c14-6-5-12(3-1-4-12)10-13-8-11-2-7-15-9-11/h2,7,9,13-14H,1,3-6,8,10H2
InChIKeyFOPLQWKZEBQHPC-UHFFFAOYSA-N
XLogP1.92
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
2-[1-[(pyridin-2-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733141
1-(4,4-dimethylcyclohexyl)-N-(furan-3-ylmethyl)methanamine
CID 115774680
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
2-[1-[[(3-chloro-4-methylphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 99839662
3-[[1-(chloromethyl)cyclobutyl]methyl]furan
CID 83182335
2-[1-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750264
2-[1-[[(3,5-dimethoxyphenyl)methylamino]methyl]cyclopropyl]ethanol
CID 114750236
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
2-[1-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750205

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol (CID 115733135) is 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol is OCCC1(CNCc2ccoc2)CCC1.
What is the InChIKey of 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol?
The InChIKey is FOPLQWKZEBQHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-6-5-12(3-1-4-12)10-13-8-11-2-7-15-9-11/h2,7,9,13-14H,1,3-6,8,10H2.
What are the key properties of 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol?
2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(furan-3-ylmethylamino)methyl]cyclobutyl]ethanol is sourced from PubChem (CID 115733135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).