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

C22H18Br2ClNO — CID 126219288

IUPACN-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2cccc(Cl)c2C)cc1
InChIInChI=1S/C22H18Br2ClNO/c1-14-6-8-16(9-7-14)13-27-22-17(10-18(23)11-19(22)24)12-26-21-5-3-4-20(25)15(21)2/h3-12H,13H2,1-2H3/b26-12+
InChIKeyOHVGUKWZPYVHTH-RPPGKUMJSA-N
MW507.65 g/mol
LogP7.81
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine (PubChem CID 126219288) has the molecular formula C22H18Br2ClNO and a molecular weight of 507.65 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
PubChem CID126219288
Molecular FormulaC22H18Br2ClNO
Molecular Weight507.65 g/mol
Exact Mass504.94
IUPAC NameN-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2cccc(Cl)c2C)cc1
InChIInChI=1S/C22H18Br2ClNO/c1-14-6-8-16(9-7-14)13-27-22-17(10-18(23)11-19(22)24)12-26-21-5-3-4-20(25)15(21)2/h3-12H,13H2,1-2H3/b26-12+
InChIKeyOHVGUKWZPYVHTH-RPPGKUMJSA-N
XLogP7.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 57.81
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

N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
2-[2,4-dibromo-6-[(3-chloro-2-methylphenyl)iminomethyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126218655
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126223873
1-(3,5-dibromo-2-propoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214465
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842
4-[[2,4-dibromo-6-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126222034
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
N-(3-chloro-2-methylphenyl)-1-[3,5-dichloro-4-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126208858
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 126367701

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine (CID 126219288) is N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine is Cc1ccc(COc2c(Br)cc(Br)cc2/C=N/c2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine?
The InChIKey is OHVGUKWZPYVHTH-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H18Br2ClNO/c1-14-6-8-16(9-7-14)13-27-22-17(10-18(23)11-19(22)24)12-26-21-5-3-4-20(25)15(21)2/h3-12H,13H2,1-2H3/b26-12+.
What are the key properties of N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine?
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine has a molecular weight of 507.65 g/mol, XLogP of 7.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126219288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).