triethyl(phenyl)azanium hydroxide

C12H21NO — CID 2735149

IUPACtriethyl(phenyl)azanium hydroxide
SMILESCC[N+](CC)(CC)c1ccccc1.[OH-]
InChIInChI=1S/C12H20N.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H2/q+1;/p-1
InChIKeyGPHXJBZAVNFMKX-UHFFFAOYSA-M
MW195.31 g/mol
LogP2.88
Rot. Bonds4

About triethyl(phenyl)azanium hydroxide

triethyl(phenyl)azanium hydroxide (PubChem CID 2735149) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is triethyl(phenyl)azanium hydroxide.

Molecular Properties

Compound Nametriethyl(phenyl)azanium hydroxide
PubChem CID2735149
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nametriethyl(phenyl)azanium hydroxide
SMILESCC[N+](CC)(CC)c1ccccc1.[OH-]
InChIInChI=1S/C12H20N.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H2/q+1;/p-1
InChIKeyGPHXJBZAVNFMKX-UHFFFAOYSA-M
XLogP2.88
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl(phenyl)azanium hydroxide?
The IUPAC name of triethyl(phenyl)azanium hydroxide (CID 2735149) is triethyl(phenyl)azanium hydroxide.
What is the SMILES notation for triethyl(phenyl)azanium hydroxide?
The canonical SMILES for triethyl(phenyl)azanium hydroxide is CC[N+](CC)(CC)c1ccccc1.[OH-].
What is the InChIKey of triethyl(phenyl)azanium hydroxide?
The InChIKey is GPHXJBZAVNFMKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.H2O/c1-4-13(5-2,6-3)12-10-8-7-9-11-12;/h7-11H,4-6H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of triethyl(phenyl)azanium hydroxide?
triethyl(phenyl)azanium hydroxide has a molecular weight of 195.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(phenyl)azanium hydroxide is sourced from PubChem (CID 2735149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).