1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine

C23H22BrNO2 — CID 126222908

IUPAC1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C23H22BrNO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyKHTKKCZWLJYXFD-MFKUBSTISA-N
MW424.34 g/mol
LogP6.35
Rot. Bonds7

About 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine (PubChem CID 126222908) has the molecular formula C23H22BrNO2 and a molecular weight of 424.34 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
PubChem CID126222908
Molecular FormulaC23H22BrNO2
Molecular Weight424.34 g/mol
Exact Mass423.08
IUPAC Name1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1
InChIInChI=1S/C23H22BrNO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3/b25-15+
InChIKeyKHTKKCZWLJYXFD-MFKUBSTISA-N
XLogP6.35
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 ≤ 56.35
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-ethylphenyl)methanimine
CID 126215718
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
1-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-ethylphenyl)methanimine
CID 126207553
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-phenylmethanimine
CID 50885405
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126224885
1-[3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126214929
1-[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-phenylmethanimine
CID 126219541
2-bromo-4-[(4-ethylphenyl)iminomethyl]-6-methoxyphenol
CID 137021949
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine
CID 4124586

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine (CID 126222908) is 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1.
What is the InChIKey of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine?
The InChIKey is KHTKKCZWLJYXFD-MFKUBSTISA-N. The full InChI is InChI=1S/C23H22BrNO2/c1-3-17-9-11-20(12-10-17)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3/b25-15+.
What are the key properties of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine?
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine has a molecular weight of 424.34 g/mol, XLogP of 6.35, 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-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126222908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).