trimethyl(phenyl)azanium hydroxide

C9H15NO — CID 15913

IUPACtrimethyl(phenyl)azanium hydroxide
SMILESC[N+](C)(C)c1ccccc1.[OH-]
InChIInChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1
InChIKeyHADKRTWCOYPCPH-UHFFFAOYSA-M
MW153.22 g/mol
LogP1.71
Rot. Bonds1

About trimethyl(phenyl)azanium hydroxide

trimethyl(phenyl)azanium hydroxide (PubChem CID 15913) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is trimethyl(phenyl)azanium hydroxide.

Molecular Properties

Compound Nametrimethyl(phenyl)azanium hydroxide
PubChem CID15913
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Nametrimethyl(phenyl)azanium hydroxide
SMILESC[N+](C)(C)c1ccccc1.[OH-]
InChIInChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1
InChIKeyHADKRTWCOYPCPH-UHFFFAOYSA-M
XLogP1.71
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.71
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 trimethyl(phenyl)azanium hydroxide?
The IUPAC name of trimethyl(phenyl)azanium hydroxide (CID 15913) is trimethyl(phenyl)azanium hydroxide.
What is the SMILES notation for trimethyl(phenyl)azanium hydroxide?
The canonical SMILES for trimethyl(phenyl)azanium hydroxide is C[N+](C)(C)c1ccccc1.[OH-].
What is the InChIKey of trimethyl(phenyl)azanium hydroxide?
The InChIKey is HADKRTWCOYPCPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N.H2O/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H2/q+1;/p-1.
What are the key properties of trimethyl(phenyl)azanium hydroxide?
trimethyl(phenyl)azanium hydroxide has a molecular weight of 153.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(phenyl)azanium hydroxide is sourced from PubChem (CID 15913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).