2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol

C11H16N2O4 — CID 113220606

IUPAC2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
SMILESCOCCNCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O4/c1-17-7-6-12-8-11(14)9-2-4-10(5-3-9)13(15)16/h2-5,11-12,14H,6-8H2,1H3
InChIKeyQZBYLJXKZFWZHI-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.86
Rot. Bonds7

About 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol

2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol (PubChem CID 113220606) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
PubChem CID113220606
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol
SMILESCOCCNCC(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H16N2O4/c1-17-7-6-12-8-11(14)9-2-4-10(5-3-9)13(15)16/h2-5,11-12,14H,6-8H2,1H3
InChIKeyQZBYLJXKZFWZHI-UHFFFAOYSA-N
XLogP0.86
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylamino]-1-(4-nitrophenyl)ethanol
CID 78914202
2-(2-but-3-enoxyethylamino)-1-(4-nitrophenyl)ethanol
CID 106401324
2-(2,2-difluoroethylamino)-1-(4-nitrophenyl)ethanol
CID 115406788
(2R)-3-[[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]amino]propane-1,2-diol
CID 97170776
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-methoxybenzamide
CID 2382187
1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 115345025
2-[2-(2-methylpyrazol-3-yl)ethylamino]-1-(4-nitrophenyl)ethanol
CID 103005955
2-(3-methylbutan-2-ylamino)-1-(4-nitrophenyl)ethanol
CID 81344643
2-[2-(4-nitrophenyl)propylamino]ethanol
CID 138739902
1-cyclopropyl-2-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]ethanol
CID 115344990
4-hydroxy-1-methoxy-4-(4-nitrophenyl)butan-2-one
CID 11402179

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol?
The IUPAC name of 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol (CID 113220606) is 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol is COCCNCC(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol?
The InChIKey is QZBYLJXKZFWZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-17-7-6-12-8-11(14)9-2-4-10(5-3-9)13(15)16/h2-5,11-12,14H,6-8H2,1H3.
What are the key properties of 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol?
2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol has a molecular weight of 240.26 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(4-nitrophenyl)ethanol is sourced from PubChem (CID 113220606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).