2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol

C9H14ClNO3 — CID 60663886

IUPAC2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(Cl)o1
InChIInChI=1S/C9H14ClNO3/c10-9-2-1-8(14-9)7-11-3-5-13-6-4-12/h1-2,11-12H,3-7H2
InChIKeyQPBLPMXOYBMUAE-UHFFFAOYSA-N
MW219.67 g/mol
LogP1.03
Rot. Bonds7

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

2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol (PubChem CID 60663886) has the molecular formula C9H14ClNO3 and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
PubChem CID60663886
Molecular FormulaC9H14ClNO3
Molecular Weight219.67 g/mol
Exact Mass219.07
IUPAC Name2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(Cl)o1
InChIInChI=1S/C9H14ClNO3/c10-9-2-1-8(14-9)7-11-3-5-13-6-4-12/h1-2,11-12H,3-7H2
InChIKeyQPBLPMXOYBMUAE-UHFFFAOYSA-N
XLogP1.03
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
CID 17156363
3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
2-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17156649
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
[5-[[2-(2-methoxyethoxy)ethylamino]methyl]furan-2-yl]methanol
CID 64593159
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
5-[[3-(2-hydroxyethoxy)propylamino]methyl]furan-2-carboxylic acid
CID 106305544
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol (CID 60663886) is 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol is OCCOCCNCc1ccc(Cl)o1.
What is the InChIKey of 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is QPBLPMXOYBMUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3/c10-9-2-1-8(14-9)7-11-3-5-13-6-4-12/h1-2,11-12H,3-7H2.
What are the key properties of 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 219.67 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 60663886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).