4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile

C11H14N2O2 — CID 64974232

IUPAC4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile
SMILESCCONCC(O)c1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O2/c1-2-15-13-8-11(14)10-5-3-9(7-12)4-6-10/h3-6,11,13-14H,2,8H2,1H3
InChIKeyKTLDOVQCJLPCLZ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.13
Rot. Bonds5

About 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile

4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile (PubChem CID 64974232) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile
PubChem CID64974232
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile
SMILESCCONCC(O)c1ccc(C#N)cc1
InChIInChI=1S/C11H14N2O2/c1-2-15-13-8-11(14)10-5-3-9(7-12)4-6-10/h3-6,11,13-14H,2,8H2,1H3
InChIKeyKTLDOVQCJLPCLZ-UHFFFAOYSA-N
XLogP1.13
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[1-hydroxy-2-(methylamino)ethyl]benzonitrile
CID 60904428
4-[1-hydroxy-2-(2-methylpentan-2-ylamino)ethyl]benzonitrile
CID 115702324
4-[1-hydroxy-2-[3-(hydroxymethyl)pentan-3-ylamino]ethyl]benzonitrile
CID 62516918
4-[1-hydroxy-2-[(1-methylcyclopentyl)amino]ethyl]benzonitrile
CID 61366179
4-[1-hydroxy-2-[2-(2-methylpropoxy)ethylamino]ethyl]benzonitrile
CID 115701768
4-[1-hydroxy-2-[(1-hydroxy-3-methoxypropan-2-yl)amino]ethyl]benzonitrile
CID 106190442
4-(1-hydroxynonyl)benzonitrile
CID 115480852
4-[1-hydroxy-2-[(2-hydroxy-2-methylpentyl)amino]ethyl]benzonitrile
CID 106292451
4-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]benzonitrile
CID 60761219
4-[2-(4-cyanophenoxy)-1-hydroxyethyl]benzonitrile
CID 109412889
4-[1-hydroxy-2-[(2-methylcyclopropyl)methylamino]ethyl]benzonitrile
CID 113463797
4-[1-hydroxy-2-[methyl(2-methylbutyl)amino]ethyl]benzonitrile
CID 43295785

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile (CID 64974232) is 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile is CCONCC(O)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile?
The InChIKey is KTLDOVQCJLPCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-15-13-8-11(14)10-5-3-9(7-12)4-6-10/h3-6,11,13-14H,2,8H2,1H3.
What are the key properties of 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile?
4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile has a molecular weight of 206.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethoxyamino)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 64974232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).