trimethyl(phenyl)azanium bromide

C9H14BrN — CID 27663

IUPACtrimethyl(phenyl)azanium bromide
SMILESC[N+](C)(C)c1ccccc1.[Br-]
InChIInChI=1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKeyGNMJFQWRASXXMS-UHFFFAOYSA-M
MW216.12 g/mol
LogP-1.11
Rot. Bonds1

About trimethyl(phenyl)azanium bromide

trimethyl(phenyl)azanium bromide (PubChem CID 27663) has the molecular formula C9H14BrN and a molecular weight of 216.12 g/mol. Its IUPAC name is trimethyl(phenyl)azanium bromide.

Molecular Properties

Compound Nametrimethyl(phenyl)azanium bromide
PubChem CID27663
Molecular FormulaC9H14BrN
Molecular Weight216.12 g/mol
Exact Mass215.03
IUPAC Nametrimethyl(phenyl)azanium bromide
SMILESC[N+](C)(C)c1ccccc1.[Br-]
InChIInChI=1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKeyGNMJFQWRASXXMS-UHFFFAOYSA-M
XLogP-1.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl(phenyl)azanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl(phenyl)azanium bromide?
The IUPAC name of trimethyl(phenyl)azanium bromide (CID 27663) is trimethyl(phenyl)azanium bromide.
What is the SMILES notation for trimethyl(phenyl)azanium bromide?
The canonical SMILES for trimethyl(phenyl)azanium bromide is C[N+](C)(C)c1ccccc1.[Br-].
What is the InChIKey of trimethyl(phenyl)azanium bromide?
The InChIKey is GNMJFQWRASXXMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N.BrH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl(phenyl)azanium bromide?
trimethyl(phenyl)azanium bromide has a molecular weight of 216.12 g/mol, XLogP of -1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(phenyl)azanium bromide is sourced from PubChem (CID 27663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).