[(2-bromophenyl)-phenylmethylidene]azanium

C13H11BrN+ — CID 135087164

IUPAC[(2-bromophenyl)-phenylmethylidene]azanium
SMILES[NH2+]=C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H10BrN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,15H/p+1
InChIKeyCJNBHWXWUQZLBE-UHFFFAOYSA-O
MW261.14 g/mol
LogP2.05
Rot. Bonds2

About [(2-bromophenyl)-phenylmethylidene]azanium

[(2-bromophenyl)-phenylmethylidene]azanium (PubChem CID 135087164) has the molecular formula C13H11BrN+ and a molecular weight of 261.14 g/mol. Its IUPAC name is [(2-bromophenyl)-phenylmethylidene]azanium.

Molecular Properties

Compound Name[(2-bromophenyl)-phenylmethylidene]azanium
PubChem CID135087164
Molecular FormulaC13H11BrN+
Molecular Weight261.14 g/mol
Exact Mass260.01
IUPAC Name[(2-bromophenyl)-phenylmethylidene]azanium
SMILES[NH2+]=C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C13H10BrN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,15H/p+1
InChIKeyCJNBHWXWUQZLBE-UHFFFAOYSA-O
XLogP2.05
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Benzophenone imine
CID 136809
2-Bromodiphenylmethane
CID 13061
2-[(Z)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 50915177
2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52950037
CID 90668198
CID 90668198
Benzophenone imine hydrochloride
CID 12234619
2-[(Z)-[(E)-3-(2-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52943814
Methanone, (4-bromophenyl)phenyl-, hydrazone
CID 5875652
(E)-1-(3-bromophenyl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]ethanimine
CID 9615498
1-Bromo-2-(1-phenylethenyl)benzene
CID 11953451
1-(2-Bromophenyl)-2-phenylethane
CID 12269392
Benzildiimine
CID 12472552

Frequently Asked Questions

What is the IUPAC name of [(2-bromophenyl)-phenylmethylidene]azanium?
The IUPAC name of [(2-bromophenyl)-phenylmethylidene]azanium (CID 135087164) is [(2-bromophenyl)-phenylmethylidene]azanium.
What is the SMILES notation for [(2-bromophenyl)-phenylmethylidene]azanium?
The canonical SMILES for [(2-bromophenyl)-phenylmethylidene]azanium is [NH2+]=C(c1ccccc1)c1ccccc1Br.
What is the InChIKey of [(2-bromophenyl)-phenylmethylidene]azanium?
The InChIKey is CJNBHWXWUQZLBE-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10BrN/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9,15H/p+1.
What are the key properties of [(2-bromophenyl)-phenylmethylidene]azanium?
[(2-bromophenyl)-phenylmethylidene]azanium has a molecular weight of 261.14 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromophenyl)-phenylmethylidene]azanium is sourced from PubChem (CID 135087164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).