diethyl-hydroxy-phenylazanium

C10H16NO+ — CID 132988834

IUPACdiethyl-hydroxy-phenylazanium
SMILESCC[N+](O)(CC)c1ccccc1
InChIInChI=1S/C10H16NO/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3/q+1
InChIKeyRITSDWMJYYLJFU-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.42
Rot. Bonds3

About diethyl-hydroxy-phenylazanium

diethyl-hydroxy-phenylazanium (PubChem CID 132988834) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is diethyl-hydroxy-phenylazanium.

Molecular Properties

Compound Namediethyl-hydroxy-phenylazanium
PubChem CID132988834
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Namediethyl-hydroxy-phenylazanium
SMILESCC[N+](O)(CC)c1ccccc1
InChIInChI=1S/C10H16NO/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3/q+1
InChIKeyRITSDWMJYYLJFU-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-dihydroxy-phenylazanium
CID 163736186
triethyl(phenyl)azanium hydroxide
CID 2735149
triethyl(phenyl)azanium;hydroxide;hydrofluoride
CID 139832069
azane;triethyl(phenyl)azanium;hydrate
CID 174742361
(2-aminophenyl)-diethyl-hydroxyazanium
CID 19767043
phenol;triethyl(methyl)azanium
CID 159672401
phosphane;triethyl(phenyl)azanium;bromide;hydrobromide
CID 174774138
propanoate;triethyl(phenyl)azanium
CID 146567529
ethyl-dimethyl-phenylazanium hexafluorophosphate
CID 139243460
ethyl-dimethyl-phenylazanium tetrafluoroborate
CID 139243462
ethanolate;trimethyl(phenyl)azanium
CID 12512092
CID 134991224
CID 134991224

Frequently Asked Questions

What is the IUPAC name of diethyl-hydroxy-phenylazanium?
The IUPAC name of diethyl-hydroxy-phenylazanium (CID 132988834) is diethyl-hydroxy-phenylazanium.
What is the SMILES notation for diethyl-hydroxy-phenylazanium?
The canonical SMILES for diethyl-hydroxy-phenylazanium is CC[N+](O)(CC)c1ccccc1.
What is the InChIKey of diethyl-hydroxy-phenylazanium?
The InChIKey is RITSDWMJYYLJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO/c1-3-11(12,4-2)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3/q+1.
What are the key properties of diethyl-hydroxy-phenylazanium?
diethyl-hydroxy-phenylazanium has a molecular weight of 166.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hydroxy-phenylazanium is sourced from PubChem (CID 132988834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).