[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride

C9H11BrClNO — CID 135905289

IUPAC[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride
SMILESCOC(=[NH2+])Cc1ccc(Br)cc1.[Cl-]
InChIInChI=1S/C9H10BrNO.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5,11H,6H2,1H3;1H
InChIKeyGIIKTKFJROGEBO-UHFFFAOYSA-N
MW264.55 g/mol
LogP-2.20
Rot. Bonds2

About [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride

[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride (PubChem CID 135905289) has the molecular formula C9H11BrClNO and a molecular weight of 264.55 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride
PubChem CID135905289
Molecular FormulaC9H11BrClNO
Molecular Weight264.55 g/mol
Exact Mass262.97
IUPAC Name[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride
SMILESCOC(=[NH2+])Cc1ccc(Br)cc1.[Cl-]
InChIInChI=1S/C9H10BrNO.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5,11H,6H2,1H3;1H
InChIKeyGIIKTKFJROGEBO-UHFFFAOYSA-N
XLogP-2.20
TPSA34.82 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.55
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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1-bromo-4-(2,2-dimethoxyethyl)benzene
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1-bromo-4-(2-chloroprop-2-enyl)benzene
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1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
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2-(4-bromophenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride?
The IUPAC name of [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride (CID 135905289) is [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride.
What is the SMILES notation for [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride?
The canonical SMILES for [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride is COC(=[NH2+])Cc1ccc(Br)cc1.[Cl-].
What is the InChIKey of [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride?
The InChIKey is GIIKTKFJROGEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5,11H,6H2,1H3;1H.
What are the key properties of [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride?
[2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride has a molecular weight of 264.55 g/mol, XLogP of -2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1-methoxyethylidene]azanium chloride is sourced from PubChem (CID 135905289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).