1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine

C21H16Br3NO2 — CID 126208407

IUPAC1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H16Br3NO2/c1-26-19-8-6-18(7-9-19)25-12-15-10-17(23)11-20(24)21(15)27-13-14-2-4-16(22)5-3-14/h2-12H,13H2,1H3/b25-12+
InChIKeyPUCTZJPLANUMIF-BRJLIKDPSA-N
MW554.08 g/mol
LogP7.31
Rot. Bonds6

About 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine

1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine (PubChem CID 126208407) has the molecular formula C21H16Br3NO2 and a molecular weight of 554.08 g/mol. Its IUPAC name is 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
PubChem CID126208407
Molecular FormulaC21H16Br3NO2
Molecular Weight554.08 g/mol
Exact Mass550.87
IUPAC Name1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C21H16Br3NO2/c1-26-19-8-6-18(7-9-19)25-12-15-10-17(23)11-20(24)21(15)27-13-14-2-4-16(22)5-3-14/h2-12H,13H2,1H3/b25-12+
InChIKeyPUCTZJPLANUMIF-BRJLIKDPSA-N
XLogP7.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.08
LogP ≤ 57.31
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-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
4-[[2,4-dibromo-6-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126206268
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842
1-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-N-(4-methoxyphenyl)methanimine
CID 126218213
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(4-ethoxyphenyl)methanimine
CID 126223204
[2,4-dibromo-6-[(4-methoxyphenyl)iminomethyl]phenyl] benzenesulfonate
CID 126223634
1-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(4-ethoxyphenyl)methanimine
CID 126220487
1-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine
CID 126216053
N-(4-chlorophenyl)-1-(3,5-dibromo-2-ethoxyphenyl)methanimine
CID 581457
1-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-N-phenylmethanimine
CID 126223338
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine?
The IUPAC name of 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine (CID 126208407) is 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine.
What is the SMILES notation for 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine?
The canonical SMILES for 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine is COc1ccc(/N=C/c2cc(Br)cc(Br)c2OCc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine?
The InChIKey is PUCTZJPLANUMIF-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H16Br3NO2/c1-26-19-8-6-18(7-9-19)25-12-15-10-17(23)11-20(24)21(15)27-13-14-2-4-16(22)5-3-14/h2-12H,13H2,1H3/b25-12+.
What are the key properties of 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine?
1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine has a molecular weight of 554.08 g/mol, XLogP of 7.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dibromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 126208407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).