N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol

C12H22N2O4 — CID 174909263

IUPACN-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol
SMILESCCNc1ccccc1.OCCONOCCO
InChIInChI=1S/C8H11N.C4H11NO4/c1-2-9-8-6-4-3-5-7-8;6-1-3-8-5-9-4-2-7/h3-7,9H,2H2,1H3;5-7H,1-4H2
InChIKeyLSUZSGFYGRACRP-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.54
Rot. Bonds8

About N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol

N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol (PubChem CID 174909263) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol.

Molecular Properties

Compound NameN-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol
PubChem CID174909263
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC NameN-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol
SMILESCCNc1ccccc1.OCCONOCCO
InChIInChI=1S/C8H11N.C4H11NO4/c1-2-9-8-6-4-3-5-7-8;6-1-3-8-5-9-4-2-7/h3-7,9H,2H2,1H3;5-7H,1-4H2
InChIKeyLSUZSGFYGRACRP-UHFFFAOYSA-N
XLogP0.54
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236
N-ethylaniline;formamide
CID 174905180
N-ethylaniline;4-phenylphenol
CID 174974376
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CID 66648742
bis(4-(ethylamino)benzoic acid);propane-1,3-diol
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CID 71038629
N-propylaniline
CID 12153

Frequently Asked Questions

What is the IUPAC name of N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol?
The IUPAC name of N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol (CID 174909263) is N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol.
What is the SMILES notation for N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol?
The canonical SMILES for N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol is CCNc1ccccc1.OCCONOCCO.
What is the InChIKey of N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol?
The InChIKey is LSUZSGFYGRACRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C4H11NO4/c1-2-9-8-6-4-3-5-7-8;6-1-3-8-5-9-4-2-7/h3-7,9H,2H2,1H3;5-7H,1-4H2.
What are the key properties of N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol?
N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol has a molecular weight of 258.32 g/mol, XLogP of 0.54, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol is sourced from PubChem (CID 174909263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).