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

C21H16Br2ClNO — CID 126220285

IUPAC1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C21H16Br2ClNO/c1-14-4-2-3-5-20(14)25-12-16-10-18(22)21(19(23)11-16)26-13-15-6-8-17(24)9-7-15/h2-12H,13H2,1H3/b25-12+
InChIKeyXUCGSJCKKNLIDF-BRJLIKDPSA-N
MW493.63 g/mol
LogP7.50
Rot. Bonds5

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

1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (PubChem CID 126220285) has the molecular formula C21H16Br2ClNO and a molecular weight of 493.63 g/mol. Its IUPAC name is 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
PubChem CID126220285
Molecular FormulaC21H16Br2ClNO
Molecular Weight493.63 g/mol
Exact Mass490.93
IUPAC Name1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C21H16Br2ClNO/c1-14-4-2-3-5-20(14)25-12-16-10-18(22)21(19(23)11-16)26-13-15-6-8-17(24)9-7-15/h2-12H,13H2,1H3/b25-12+
InChIKeyXUCGSJCKKNLIDF-BRJLIKDPSA-N
XLogP7.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 57.50
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-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
1-(3,5-dibromo-4-prop-2-enoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126207235
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707
1-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-phenylmethanimine
CID 126219541
[2-bromo-6-ethoxy-4-[(2-methylphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126224818
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126223873

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (CID 126220285) is 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The InChIKey is XUCGSJCKKNLIDF-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H16Br2ClNO/c1-14-4-2-3-5-20(14)25-12-16-10-18(22)21(19(23)11-16)26-13-15-6-8-17(24)9-7-15/h2-12H,13H2,1H3/b25-12+.
What are the key properties of 1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine has a molecular weight of 493.63 g/mol, XLogP of 7.50, 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-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126220285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).