2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide

C11H16N2O5 — CID 23642561

IUPAC2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide
SMILESO=[N+]([O-])c1ccccc1C[N+]([O-])(CCO)CCO
InChIInChI=1S/C11H16N2O5/c14-7-5-13(18,6-8-15)9-10-3-1-2-4-11(10)12(16)17/h1-4,14-15H,5-9H2
InChIKeyFSYJMIVGDHXVSA-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.39
Rot. Bonds7

About 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide

2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide (PubChem CID 23642561) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide
PubChem CID23642561
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide
SMILESO=[N+]([O-])c1ccccc1C[N+]([O-])(CCO)CCO
InChIInChI=1S/C11H16N2O5/c14-7-5-13(18,6-8-15)9-10-3-1-2-4-11(10)12(16)17/h1-4,14-15H,5-9H2
InChIKeyFSYJMIVGDHXVSA-UHFFFAOYSA-N
XLogP0.39
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.39
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2-nitrophenyl)methanol
CID 11923
methanol;(2-nitrophenyl)methanol
CID 70046885
2-aminoethyl-dimethyl-[(2-nitrophenyl)methyl]azanium
CID 160766463
1-(2-bromoethyl)-2-nitrobenzene;2-(2-nitrophenyl)ethanol
CID 160970428
bis(2-hydroxyethyl)-methyl-[(5-nitronaphthalen-1-yl)methyl]azanium
CID 10545154
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
[3-(2-nitrophenyl)-2-oxopropyl]azanium
CID 143919677
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
2-[(2-nitrophenyl)methyl]phenol
CID 22062598
(2-nitrophenyl)methyl thiohypofluorite
CID 156702153
methyl 2-(2-nitrophenyl)acetate
CID 520464

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide (CID 23642561) is 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide is O=[N+]([O-])c1ccccc1C[N+]([O-])(CCO)CCO.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide?
The InChIKey is FSYJMIVGDHXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c14-7-5-13(18,6-8-15)9-10-3-1-2-4-11(10)12(16)17/h1-4,14-15H,5-9H2.
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide?
2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide has a molecular weight of 256.26 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-N-[(2-nitrophenyl)methyl]ethanamine oxide is sourced from PubChem (CID 23642561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).