1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine

C24H24BrNO2 — CID 126214078

IUPAC1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C24H24BrNO2/c1-4-27-23-14-20(15-26-22-12-8-9-17(2)18(22)3)13-21(25)24(23)28-16-19-10-6-5-7-11-19/h5-15H,4,16H2,1-3H3/b26-15+
InChIKeyBQUWMIWACLWYDT-CVKSISIWSA-N
MW438.37 g/mol
LogP6.79
Rot. Bonds7

About 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine

1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126214078) has the molecular formula C24H24BrNO2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
PubChem CID126214078
Molecular FormulaC24H24BrNO2
Molecular Weight438.37 g/mol
Exact Mass437.10
IUPAC Name1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C24H24BrNO2/c1-4-27-23-14-20(15-26-22-12-8-9-17(2)18(22)3)13-21(25)24(23)28-16-19-10-6-5-7-11-19/h5-15H,4,16H2,1-3H3/b26-15+
InChIKeyBQUWMIWACLWYDT-CVKSISIWSA-N
XLogP6.79
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 56.79
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

1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126225118
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
[2-bromo-4-[(2,3-dimethylphenyl)iminomethyl]-6-ethoxyphenyl] benzenesulfonate
CID 126220047
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
1-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-phenylmethanimine
CID 126219541
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
1-[3-bromo-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126206843
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
N-(2,5-dimethylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126223793

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine (CID 126214078) is 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is BQUWMIWACLWYDT-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24BrNO2/c1-4-27-23-14-20(15-26-22-12-8-9-17(2)18(22)3)13-21(25)24(23)28-16-19-10-6-5-7-11-19/h5-15H,4,16H2,1-3H3/b26-15+.
What are the key properties of 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine?
1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 438.37 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126214078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).