2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol

C12H21NO3 — CID 115707279

IUPAC2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol
SMILESCCc1ccc(C(C)NCCOCCO)o1
InChIInChI=1S/C12H21NO3/c1-3-11-4-5-12(16-11)10(2)13-6-8-15-9-7-14/h4-5,10,13-14H,3,6-9H2,1-2H3
InChIKeyCPNXVZXEVTXOEK-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.50
Rot. Bonds8

About 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol

2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol (PubChem CID 115707279) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol
PubChem CID115707279
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol
SMILESCCc1ccc(C(C)NCCOCCO)o1
InChIInChI=1S/C12H21NO3/c1-3-11-4-5-12(16-11)10(2)13-6-8-15-9-7-14/h4-5,10,13-14H,3,6-9H2,1-2H3
InChIKeyCPNXVZXEVTXOEK-UHFFFAOYSA-N
XLogP1.50
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
(1S)-1-(5-ethylfuran-2-yl)-N-(2-pyridin-3-yloxyethyl)ethanamine
CID 97322477
N-[1-(5-ethylfuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704790
2-[2-[1-(3-ethyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43207567
N-(2-ethoxyethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43403764
(3R)-3-[1-(5-ethylfuran-2-yl)ethylamino]butan-1-ol
CID 103871772
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
2-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]ethoxy]ethanol
CID 28727479
1-N-[1-(5-ethylfuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717072
2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
methyl 5-[1-(2-ethoxyethylamino)ethyl]furan-2-carboxylate
CID 103230134

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol (CID 115707279) is 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol is CCc1ccc(C(C)NCCOCCO)o1.
What is the InChIKey of 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol?
The InChIKey is CPNXVZXEVTXOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-11-4-5-12(16-11)10(2)13-6-8-15-9-7-14/h4-5,10,13-14H,3,6-9H2,1-2H3.
What are the key properties of 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol?
2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol has a molecular weight of 227.30 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(5-ethylfuran-2-yl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 115707279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).