1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine

C22H18BrCl2NO — CID 126215654

IUPAC1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C22H18BrCl2NO/c1-14-3-7-21(15(2)9-14)26-12-17-10-18(23)5-8-22(17)27-13-16-4-6-19(24)11-20(16)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyFMGBZWVABJUXCD-RPPGKUMJSA-N
MW463.20 g/mol
LogP7.70
Rot. Bonds5

About 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine

1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine (PubChem CID 126215654) has the molecular formula C22H18BrCl2NO and a molecular weight of 463.20 g/mol. Its IUPAC name is 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
PubChem CID126215654
Molecular FormulaC22H18BrCl2NO
Molecular Weight463.20 g/mol
Exact Mass460.99
IUPAC Name1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1
InChIInChI=1S/C22H18BrCl2NO/c1-14-3-7-21(15(2)9-14)26-12-17-10-18(23)5-8-22(17)27-13-16-4-6-19(24)11-20(16)25/h3-12H,13H2,1-2H3/b26-12+
InChIKeyFMGBZWVABJUXCD-RPPGKUMJSA-N
XLogP7.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.20
LogP ≤ 57.70
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-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
(NE)-N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 6898107
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168533091
1-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126216101
1-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
CID 168630234
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)butanediamide
CID 5177833
6-bromo-3-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126308669

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine (CID 126215654) is 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1.
What is the InChIKey of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
The InChIKey is FMGBZWVABJUXCD-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18BrCl2NO/c1-14-3-7-21(15(2)9-14)26-12-17-10-18(23)5-8-22(17)27-13-16-4-6-19(24)11-20(16)25/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine?
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine has a molecular weight of 463.20 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126215654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).