1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine

C23H22BrNO2 — CID 126221363

IUPAC1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1
InChIInChI=1S/C23H22BrNO2/c1-3-26-21-11-9-20(10-12-21)25-15-19-8-13-23(22(24)14-19)27-16-18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyXPLMLWYXSLSCDI-MFKUBSTISA-N
MW424.34 g/mol
LogP6.49
Rot. Bonds7

About 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine

1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine (PubChem CID 126221363) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
PubChem CID126221363
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
SMILESCCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1
InChIInChI=1S/C23H22BrNO2/c1-3-26-21-11-9-20(10-12-21)25-15-19-8-13-23(22(24)14-19)27-16-18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyXPLMLWYXSLSCDI-MFKUBSTISA-N
XLogP6.49
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.34
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-4-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126217830
1-(4-ethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 767226
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 4736660
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
1-[3-bromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126206905
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-(3-bromo-4,5-diethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 50884560
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126215718
1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
[2-bromo-4-[(4-ethoxyphenyl)iminomethyl]phenyl] 4-chlorobenzenesulfonate
CID 126221242

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The IUPAC name of 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine (CID 126221363) is 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine is CCOc1ccc(/N=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1.
What is the InChIKey of 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
The InChIKey is XPLMLWYXSLSCDI-MFKUBSTISA-N. The full InChI is InChI=1S/C23H22BrNO2/c1-3-26-21-11-9-20(10-12-21)25-15-19-8-13-23(22(24)14-19)27-16-18-6-4-17(2)5-7-18/h4-15H,3,16H2,1-2H3/b25-15+.
What are the key properties of 1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine?
1-[3-bromo-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine has a molecular weight of 424.34 g/mol, XLogP of 6.49, 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-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine is sourced from PubChem (CID 126221363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).