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

C12H18N2O4 — CID 60509442

IUPAC2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
SMILESCCN(CCO)CCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O4/c1-2-13(7-9-15)8-10-18-12-6-4-3-5-11(12)14(16)17/h3-6,15H,2,7-10H2,1H3
InChIKeyXQJGBWCFECLYJR-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.29
Rot. Bonds8

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

2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol (PubChem CID 60509442) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
PubChem CID60509442
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol
SMILESCCN(CCO)CCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N2O4/c1-2-13(7-9-15)8-10-18-12-6-4-3-5-11(12)14(16)17/h3-6,15H,2,7-10H2,1H3
InChIKeyXQJGBWCFECLYJR-UHFFFAOYSA-N
XLogP1.29
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
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

3-(2-nitrophenoxy)propan-1-ol
CID 18791292
2-butoxy-N,N-bis[2-(2-nitrophenoxy)ethyl]ethanamine
CID 10789581
N,N-diethyl-4-(2-nitrophenoxy)butanamide
CID 84556302
N-[4-(diethylamino)butyl]-4-(2-nitrophenoxy)butanamide
CID 84553927
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
2-[2-[ethyl(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63571903
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
2-(4-bromo-2-nitrophenoxy)-N,N-diethylethanamine
CID 61373429
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434
1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 2283926

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol (CID 60509442) is 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol is CCN(CCO)CCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol?
The InChIKey is XQJGBWCFECLYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-2-13(7-9-15)8-10-18-12-6-4-3-5-11(12)14(16)17/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol?
2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol has a molecular weight of 254.29 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(2-nitrophenoxy)ethyl]amino]ethanol is sourced from PubChem (CID 60509442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).