1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine

C24H23BrClNO2 — CID 126221758

IUPAC1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C24H23BrClNO2/c1-4-28-23-13-18(14-27-22-11-7-8-16(2)17(22)3)12-20(25)24(23)29-15-19-9-5-6-10-21(19)26/h5-14H,4,15H2,1-3H3/b27-14+
InChIKeyBFAJXATZQFXVSJ-MZJWZYIUSA-N
MW472.81 g/mol
LogP7.45
Rot. Bonds7

About 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine

1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126221758) has the molecular formula C24H23BrClNO2 and a molecular weight of 472.81 g/mol. Its IUPAC name is 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
PubChem CID126221758
Molecular FormulaC24H23BrClNO2
Molecular Weight472.81 g/mol
Exact Mass471.06
IUPAC Name1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C24H23BrClNO2/c1-4-28-23-13-18(14-27-22-11-7-8-16(2)17(22)3)12-20(25)24(23)29-15-19-9-5-6-10-21(19)26/h5-14H,4,15H2,1-3H3/b27-14+
InChIKeyBFAJXATZQFXVSJ-MZJWZYIUSA-N
XLogP7.45
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.81
LogP ≤ 57.45
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-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126217392
1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126225118
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]aniline
CID 132950633
[2-bromo-4-[(2,3-dimethylphenyl)iminomethyl]-6-ethoxyphenyl] benzenesulfonate
CID 126220047
1-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
(5E)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2-(3-chloro-2-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137136538
1-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126221945
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]benzamide
CID 94851526
2-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
CID 50886365
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-(4-chlorophenyl)acetamide
CID 4548151

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine (CID 126221758) is 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1Cl.
What is the InChIKey of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is BFAJXATZQFXVSJ-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H23BrClNO2/c1-4-28-23-13-18(14-27-22-11-7-8-16(2)17(22)3)12-20(25)24(23)29-15-19-9-5-6-10-21(19)26/h5-14H,4,15H2,1-3H3/b27-14+.
What are the key properties of 1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine?
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 472.81 g/mol, XLogP of 7.45, 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-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126221758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).