1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine

C23H20BrCl2NO2 — CID 126206843

IUPAC1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1
InChIInChI=1S/C23H20BrCl2NO2/c1-3-28-22-11-17(13-27-19-8-7-15(2)21(26)12-19)10-20(24)23(22)29-14-16-5-4-6-18(25)9-16/h4-13H,3,14H2,1-2H3/b27-13+
InChIKeyIYLIAYCQZBEFIQ-UVHMKAGCSA-N
MW493.23 g/mol
LogP7.79
Rot. Bonds7

About 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine

1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine (PubChem CID 126206843) has the molecular formula C23H20BrCl2NO2 and a molecular weight of 493.23 g/mol. Its IUPAC name is 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
PubChem CID126206843
Molecular FormulaC23H20BrCl2NO2
Molecular Weight493.23 g/mol
Exact Mass491.01
IUPAC Name1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1
InChIInChI=1S/C23H20BrCl2NO2/c1-3-28-22-11-17(13-27-19-8-7-15(2)21(26)12-19)10-20(24)23(22)29-14-16-5-4-6-18(25)9-16/h4-13H,3,14H2,1-2H3/b27-13+
InChIKeyIYLIAYCQZBEFIQ-UVHMKAGCSA-N
XLogP7.79
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.23
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126220648
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217786
1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220469
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
1-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-N-(3-chloro-4-methylphenyl)methanimine
CID 126205504
2-[2-bromo-4-[(3-chloro-4-methylphenyl)iminomethyl]-6-ethoxyphenoxy]acetic acid
CID 126222878
N-(5-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(3-chlorophenyl)methoxy]phenyl]methanimine
CID 126220024
1-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-phenylmethanimine
CID 126219541
4-[[2-bromo-4-[(5-chloro-2-methylphenyl)iminomethyl]-6-ethoxyphenoxy]methyl]benzoic acid
CID 126218954
(E)-3-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]prop-2-enenitrile
CID 6041304
1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217459

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine (CID 126206843) is 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine is CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
The InChIKey is IYLIAYCQZBEFIQ-UVHMKAGCSA-N. The full InChI is InChI=1S/C23H20BrCl2NO2/c1-3-28-22-11-17(13-27-19-8-7-15(2)21(26)12-19)10-20(24)23(22)29-14-16-5-4-6-18(25)9-16/h4-13H,3,14H2,1-2H3/b27-13+.
What are the key properties of 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine?
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine has a molecular weight of 493.23 g/mol, XLogP of 7.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine is sourced from PubChem (CID 126206843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).