methyl(phenyl)azanium bromide

C7H10BrN — CID 67931495

IUPACmethyl(phenyl)azanium bromide
SMILESC[NH2+]c1ccccc1.[Br-]
InChIInChI=1S/C7H9N.BrH/c1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;1H
InChIKeyWTMBHEPQQKNQAC-UHFFFAOYSA-N
MW188.07 g/mol
LogP-2.48
Rot. Bonds1

About methyl(phenyl)azanium bromide

methyl(phenyl)azanium bromide (PubChem CID 67931495) has the molecular formula C7H10BrN and a molecular weight of 188.07 g/mol. Its IUPAC name is methyl(phenyl)azanium bromide.

Molecular Properties

Compound Namemethyl(phenyl)azanium bromide
PubChem CID67931495
Molecular FormulaC7H10BrN
Molecular Weight188.07 g/mol
Exact Mass187.00
IUPAC Namemethyl(phenyl)azanium bromide
SMILESC[NH2+]c1ccccc1.[Br-]
InChIInChI=1S/C7H9N.BrH/c1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;1H
InChIKeyWTMBHEPQQKNQAC-UHFFFAOYSA-N
XLogP-2.48
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 5-2.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(phenyl)azanium bromide?
The IUPAC name of methyl(phenyl)azanium bromide (CID 67931495) is methyl(phenyl)azanium bromide.
What is the SMILES notation for methyl(phenyl)azanium bromide?
The canonical SMILES for methyl(phenyl)azanium bromide is C[NH2+]c1ccccc1.[Br-].
What is the InChIKey of methyl(phenyl)azanium bromide?
The InChIKey is WTMBHEPQQKNQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.BrH/c1-8-7-5-3-2-4-6-7;/h2-6,8H,1H3;1H.
What are the key properties of methyl(phenyl)azanium bromide?
methyl(phenyl)azanium bromide has a molecular weight of 188.07 g/mol, XLogP of -2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenyl)azanium bromide is sourced from PubChem (CID 67931495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).