1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine

C24H23BrFNO2 — CID 126225118

IUPAC1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C24H23BrFNO2/c1-4-28-23-13-19(14-27-22-7-5-6-16(2)17(22)3)12-21(25)24(23)29-15-18-8-10-20(26)11-9-18/h5-14H,4,15H2,1-3H3/b27-14+
InChIKeyYKYNWUZSJUJFDQ-MZJWZYIUSA-N
MW456.36 g/mol
LogP6.93
Rot. Bonds7

About 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine

1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126225118) has the molecular formula C24H23BrFNO2 and a molecular weight of 456.36 g/mol. Its IUPAC name is 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
PubChem CID126225118
Molecular FormulaC24H23BrFNO2
Molecular Weight456.36 g/mol
Exact Mass455.09
IUPAC Name1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1
InChIInChI=1S/C24H23BrFNO2/c1-4-28-23-13-19(14-27-22-7-5-6-16(2)17(22)3)12-21(25)24(23)29-15-18-8-10-20(26)11-9-18/h5-14H,4,15H2,1-3H3/b27-14+
InChIKeyYKYNWUZSJUJFDQ-MZJWZYIUSA-N
XLogP6.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.36
LogP ≤ 56.93
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-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
1-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126219547
[2-bromo-4-[(2,3-dimethylphenyl)iminomethyl]-6-ethoxyphenyl] benzenesulfonate
CID 126220047
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
[(Z)-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 94830021
N-(3-chloro-2-methylphenyl)-1-[3,5-dibromo-4-[(4-bromophenyl)methoxy]phenyl]methanimine
CID 126219344
1-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126216961
1-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-phenylmethanimine
CID 126219541
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine (CID 126225118) is 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine is CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1.
What is the InChIKey of 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is YKYNWUZSJUJFDQ-MZJWZYIUSA-N. The full InChI is InChI=1S/C24H23BrFNO2/c1-4-28-23-13-19(14-27-22-7-5-6-16(2)17(22)3)12-21(25)24(23)29-15-18-8-10-20(26)11-9-18/h5-14H,4,15H2,1-3H3/b27-14+.
What are the key properties of 1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
1-[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine has a molecular weight of 456.36 g/mol, XLogP of 6.93, 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-[(4-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126225118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).