2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol

C15H18ClNO3 — CID 17156363

IUPAC2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H18ClNO3/c16-13-3-1-2-12(10-13)15-5-4-14(20-15)11-17-6-8-19-9-7-18/h1-5,10,17-18H,6-9,11H2
InChIKeyQBBHJUNIWRYNSD-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.70
Rot. Bonds8

About 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol

2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol (PubChem CID 17156363) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
PubChem CID17156363
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol
SMILESOCCOCCNCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C15H18ClNO3/c16-13-3-1-2-12(10-13)15-5-4-14(20-15)11-17-6-8-19-9-7-18/h1-5,10,17-18H,6-9,11H2
InChIKeyQBBHJUNIWRYNSD-UHFFFAOYSA-N
XLogP2.70
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.70
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-[2-[[5-(3-chloro-4-methylphenyl)furan-2-yl]methylamino]ethoxy]ethanol;hydrochloride
CID 17156649
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209837
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-phenylethanamine;hydrochloride
CID 17332170
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-phenylmethanamine
CID 4723692
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
2-[2-[(5-ethylfuran-2-yl)methylamino]ethoxy]ethanol
CID 62347388
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332192
1-[5-(3-chlorophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 17332172
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
(2R)-2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 95003401
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-1-pyridin-2-ylmethanamine
CID 4723727

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol (CID 17156363) is 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol is OCCOCCNCc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol?
The InChIKey is QBBHJUNIWRYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-13-3-1-2-12(10-13)15-5-4-14(20-15)11-17-6-8-19-9-7-18/h1-5,10,17-18H,6-9,11H2.
What are the key properties of 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol?
2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol has a molecular weight of 295.77 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethoxy]ethanol is sourced from PubChem (CID 17156363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).