2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol

C10H14N2O5 — CID 91369281

IUPAC2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol
SMILESCCN(O)c1ccc([N+](=O)[O-])cc1OCCO
InChIInChI=1S/C10H14N2O5/c1-2-11(14)9-4-3-8(12(15)16)7-10(9)17-6-5-13/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyGPTKAVIPQICJJW-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.18
Rot. Bonds6

About 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol

2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol (PubChem CID 91369281) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol.

Molecular Properties

Compound Name2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol
PubChem CID91369281
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol
SMILESCCN(O)c1ccc([N+](=O)[O-])cc1OCCO
InChIInChI=1S/C10H14N2O5/c1-2-11(14)9-4-3-8(12(15)16)7-10(9)17-6-5-13/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyGPTKAVIPQICJJW-UHFFFAOYSA-N
XLogP1.18
TPSA96.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-[2-(2-hydroxyethoxy)-4-nitrophenoxy]ethanol
CID 593462
3-(2-hydroxyethoxy)-2-methyl-5-nitrophenol
CID 19940167
2-[2-[2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15326148
2-[2-[2-[2-(methylamino)-5-nitrophenoxy]ethoxy]ethoxy]ethanol
CID 15326147
2-[2-(4,6-dimethylpyrimidin-5-yl)-4-nitrophenoxy]ethanol
CID 163276963
2-methoxy-4-nitro-1-propoxybenzene
CID 131858212
5-(2-bromo-5-nitrophenoxy)pentan-1-ol
CID 102975174
N,N-diethyl-2-fluoro-4-nitroaniline
CID 67995604
1-butoxy-2-fluoro-4-nitrobenzene
CID 69029927
2-butoxy-5-nitrophenol
CID 141158099
2-[2-(2-hydroxyethoxy)-4-[(E)-2-(4-nitrophenyl)ethenyl]phenoxy]ethanol
CID 101005092
4-(2-chloro-4-nitrophenoxy)butan-2-one
CID 60666840

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol?
The IUPAC name of 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol (CID 91369281) is 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol.
What is the SMILES notation for 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol?
The canonical SMILES for 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol is CCN(O)c1ccc([N+](=O)[O-])cc1OCCO.
What is the InChIKey of 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol?
The InChIKey is GPTKAVIPQICJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-2-11(14)9-4-3-8(12(15)16)7-10(9)17-6-5-13/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol?
2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol has a molecular weight of 242.23 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(hydroxy)amino]-5-nitrophenoxy]ethanol is sourced from PubChem (CID 91369281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).