[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol

C13H21NO3 — CID 50950500

IUPAC[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESCCN(Cc1ccc(CO)o1)CC1CCCO1
InChIInChI=1S/C13H21NO3/c1-2-14(8-11-4-3-7-16-11)9-12-5-6-13(10-15)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyKZSGWNBETSPIIH-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.77
Rot. Bonds6

About [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol

[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol (PubChem CID 50950500) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
PubChem CID50950500
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol
SMILESCCN(Cc1ccc(CO)o1)CC1CCCO1
InChIInChI=1S/C13H21NO3/c1-2-14(8-11-4-3-7-16-11)9-12-5-6-13(10-15)17-12/h5-6,11,15H,2-4,7-10H2,1H3
InChIKeyKZSGWNBETSPIIH-UHFFFAOYSA-N
XLogP1.77
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol (CID 50950500) is [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol is CCN(Cc1ccc(CO)o1)CC1CCCO1.
What is the InChIKey of [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?
The InChIKey is KZSGWNBETSPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-14(8-11-4-3-7-16-11)9-12-5-6-13(10-15)17-12/h5-6,11,15H,2-4,7-10H2,1H3.
What are the key properties of [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol?
[5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol has a molecular weight of 239.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 50950500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).