benzyl(phenyl)azanium bromide

C13H14BrN — CID 173449870

IUPACbenzyl(phenyl)azanium bromide
SMILES[Br-].c1ccc(C[NH2+]c2ccccc2)cc1
InChIInChI=1S/C13H13N.BrH/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;1H
InChIKeyGPPITDSTKKEBQL-UHFFFAOYSA-N
MW264.17 g/mol
LogP-0.91
Rot. Bonds3

About benzyl(phenyl)azanium bromide

benzyl(phenyl)azanium bromide (PubChem CID 173449870) has the molecular formula C13H14BrN and a molecular weight of 264.17 g/mol. Its IUPAC name is benzyl(phenyl)azanium bromide.

Molecular Properties

Compound Namebenzyl(phenyl)azanium bromide
PubChem CID173449870
Molecular FormulaC13H14BrN
Molecular Weight264.17 g/mol
Exact Mass263.03
IUPAC Namebenzyl(phenyl)azanium bromide
SMILES[Br-].c1ccc(C[NH2+]c2ccccc2)cc1
InChIInChI=1S/C13H13N.BrH/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;1H
InChIKeyGPPITDSTKKEBQL-UHFFFAOYSA-N
XLogP-0.91
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

benzyl(phenyl)azanium;4-methylbenzenesulfonate
CID 139812719
dibenzylazanium iodide
CID 15533239
ethyl(phenyl)azanium hydroxide
CID 19786088
bis[2-(phenylazaniumyl)ethyl]azanium trichloride
CID 11349076
benzyl-[(4-ethylphenyl)methyl]azanium
CID 7994180
2,2-dimethylpropyl(phenyl)azanium chloride
CID 121302538
phenyl(113C)methylbenzene
CID 11194569
benzene;2-phenylethylbenzene
CID 18982764
methyl(phenyl)azanium bromide
CID 67931495
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
benzyl(trityl)azanium hydroxide
CID 139630994
benzyl(3-methylbut-2-enyl)azanium bromide
CID 88642213

Frequently Asked Questions

What is the IUPAC name of benzyl(phenyl)azanium bromide?
The IUPAC name of benzyl(phenyl)azanium bromide (CID 173449870) is benzyl(phenyl)azanium bromide.
What is the SMILES notation for benzyl(phenyl)azanium bromide?
The canonical SMILES for benzyl(phenyl)azanium bromide is [Br-].c1ccc(C[NH2+]c2ccccc2)cc1.
What is the InChIKey of benzyl(phenyl)azanium bromide?
The InChIKey is GPPITDSTKKEBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N.BrH/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13;/h1-10,14H,11H2;1H.
What are the key properties of benzyl(phenyl)azanium bromide?
benzyl(phenyl)azanium bromide has a molecular weight of 264.17 g/mol, XLogP of -0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(phenyl)azanium bromide is sourced from PubChem (CID 173449870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).