1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol

C13H14N2O4 — CID 60760616

IUPAC1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
SMILESO=[N+]([O-])c1cccc(CNCC(O)c2ccco2)c1
InChIInChI=1S/C13H14N2O4/c16-12(13-5-2-6-19-13)9-14-8-10-3-1-4-11(7-10)15(17)18/h1-7,12,14,16H,8-9H2
InChIKeyOIXVMIOQXOTCAP-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.01
Rot. Bonds6

About 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol

1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol (PubChem CID 60760616) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
PubChem CID60760616
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
SMILESO=[N+]([O-])c1cccc(CNCC(O)c2ccco2)c1
InChIInChI=1S/C13H14N2O4/c16-12(13-5-2-6-19-13)9-14-8-10-3-1-4-11(7-10)15(17)18/h1-7,12,14,16H,8-9H2
InChIKeyOIXVMIOQXOTCAP-UHFFFAOYSA-N
XLogP2.01
TPSA88.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-2-[[4-(methylamino)-3-nitrophenyl]methylamino]ethanol
CID 111579093
(2R)-3-[(3-nitrophenyl)methylamino]propane-1,2-diol
CID 96908585
1-(2-chlorophenyl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 62505763
1-(furan-2-yl)-2-methyl-2-[(3-nitrophenyl)methylamino]propan-1-ol
CID 117068804
N-(furan-2-ylmethyl)-1-(3-nitrophenyl)methanamine;hydrochloride
CID 17331715
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-4-nitrobenzamide
CID 78867811
2-methyl-3-methylsulfanyl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 63965278
(2R)-2-[(R)-methylsulfinyl]-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 97241565
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-(2-methyl-5-nitrophenyl)urea
CID 110890326
2-[(3-fluoro-4-methylphenyl)methylamino]-1-(furan-2-yl)ethanol
CID 110888245
N'-[(3-nitrophenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442158
2-methyl-N-[(3-nitrophenyl)methyl]prop-2-en-1-amine
CID 62504529

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol?
The IUPAC name of 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol (CID 60760616) is 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol is O=[N+]([O-])c1cccc(CNCC(O)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol?
The InChIKey is OIXVMIOQXOTCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(13-5-2-6-19-13)9-14-8-10-3-1-4-11(7-10)15(17)18/h1-7,12,14,16H,8-9H2.
What are the key properties of 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol?
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol has a molecular weight of 262.26 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol is sourced from PubChem (CID 60760616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).