1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine

C24H24BrNO2 — CID 126215718

IUPAC1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1
InChIInChI=1S/C24H24BrNO2/c1-4-18-9-11-21(12-10-18)26-15-20-13-22(25)24(23(14-20)27-3)28-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3/b26-15+
InChIKeyCBFFJODJIKNBDO-CVKSISIWSA-N
MW438.37 g/mol
LogP6.66
Rot. Bonds7

About 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine

1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (PubChem CID 126215718) has the molecular formula C24H24BrNO2 and a molecular weight of 438.37 g/mol. Its IUPAC name is 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
PubChem CID126215718
Molecular FormulaC24H24BrNO2
Molecular Weight438.37 g/mol
Exact Mass437.10
IUPAC Name1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1
InChIInChI=1S/C24H24BrNO2/c1-4-18-9-11-21(12-10-18)26-15-20-13-22(25)24(23(14-20)27-3)28-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3/b26-15+
InChIKeyCBFFJODJIKNBDO-CVKSISIWSA-N
XLogP6.66
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 ≤ 56.66
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-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 50885371
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-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
N-(4-ethylphenyl)-1-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126216170
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
1-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126219547
1-(3-bromo-4-methoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 50887206
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (CID 126215718) is 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1.
What is the InChIKey of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The InChIKey is CBFFJODJIKNBDO-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24BrNO2/c1-4-18-9-11-21(12-10-18)26-15-20-13-22(25)24(23(14-20)27-3)28-16-19-7-5-17(2)6-8-19/h5-15H,4,16H2,1-3H3/b26-15+.
What are the key properties of 1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine has a molecular weight of 438.37 g/mol, XLogP of 6.66, 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-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126215718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).