2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol

C10H16ClNO3 — CID 103992501

IUPAC2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1ccc(Cl)o1
InChIInChI=1S/C10H16ClNO3/c11-10-3-2-9(15-10)8-12-4-1-6-14-7-5-13/h2-3,12-13H,1,4-8H2
InChIKeyJRLWKPZAQGNMKY-UHFFFAOYSA-N
MW233.69 g/mol
LogP1.42
Rot. Bonds8

About 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol

2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol (PubChem CID 103992501) has the molecular formula C10H16ClNO3 and a molecular weight of 233.69 g/mol. Its IUPAC name is 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol.

Molecular Properties

Compound Name2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
PubChem CID103992501
Molecular FormulaC10H16ClNO3
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
SMILESOCCOCCCNCc1ccc(Cl)o1
InChIInChI=1S/C10H16ClNO3/c11-10-3-2-9(15-10)8-12-4-1-6-14-7-5-13/h2-3,12-13H,1,4-8H2
InChIKeyJRLWKPZAQGNMKY-UHFFFAOYSA-N
XLogP1.42
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]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-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
2-[3-[(2-chlorophenyl)methylamino]propoxy]ethanol
CID 103992721
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
2-[3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propoxy]ethanol
CID 110019175
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol?
The IUPAC name of 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol (CID 103992501) is 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol.
What is the SMILES notation for 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol?
The canonical SMILES for 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol is OCCOCCCNCc1ccc(Cl)o1.
What is the InChIKey of 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol?
The InChIKey is JRLWKPZAQGNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3/c11-10-3-2-9(15-10)8-12-4-1-6-14-7-5-13/h2-3,12-13H,1,4-8H2.
What are the key properties of 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol?
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol has a molecular weight of 233.69 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol is sourced from PubChem (CID 103992501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).