1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

C23H21Br2NO — CID 126207810

IUPAC1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H21Br2NO/c1-15-4-7-18(8-5-15)14-27-23-19(11-20(24)12-22(23)25)13-26-21-9-6-16(2)17(3)10-21/h4-13H,14H2,1-3H3/b26-13+
InChIKeyMUTPSTUPDAQPJU-LGJNPRDNSA-N
MW487.24 g/mol
LogP7.47
Rot. Bonds5

About 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126207810) has the molecular formula C23H21Br2NO and a molecular weight of 487.24 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID126207810
Molecular FormulaC23H21Br2NO
Molecular Weight487.24 g/mol
Exact Mass485.00
IUPAC Name1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C23H21Br2NO/c1-15-4-7-18(8-5-15)14-27-23-19(11-20(24)12-22(23)25)13-26-21-9-6-16(2)17(3)10-21/h4-13H,14H2,1-3H3/b26-13+
InChIKeyMUTPSTUPDAQPJU-LGJNPRDNSA-N
XLogP7.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.24
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126208407
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
CID 126219288
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
4-[[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126222034
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126367701
4-[[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126206268
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (CID 126207810) is 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is MUTPSTUPDAQPJU-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H21Br2NO/c1-15-4-7-18(8-5-15)14-27-23-19(11-20(24)12-22(23)25)13-26-21-9-6-16(2)17(3)10-21/h4-13H,14H2,1-3H3/b26-13+.
What are the key properties of 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 487.24 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126207810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).