1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

C21H17Br2NO — CID 126209716

IUPAC1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C21H17Br2NO/c1-15-4-2-3-5-20(15)24-13-17-12-19(23)10-11-21(17)25-14-16-6-8-18(22)9-7-16/h2-13H,14H2,1H3/b24-13+
InChIKeyXMBTUVZAAFHPSW-ZMOGYAJESA-N
MW459.18 g/mol
LogP6.85
Rot. Bonds5

About 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (PubChem CID 126209716) has the molecular formula C21H17Br2NO and a molecular weight of 459.18 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
PubChem CID126209716
Molecular FormulaC21H17Br2NO
Molecular Weight459.18 g/mol
Exact Mass456.97
IUPAC Name1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C21H17Br2NO/c1-15-4-2-3-5-20(15)24-13-17-12-19(23)10-11-21(17)25-14-16-6-8-18(22)9-7-16/h2-13H,14H2,1H3/b24-13+
InChIKeyXMBTUVZAAFHPSW-ZMOGYAJESA-N
XLogP6.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.18
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
1-[3,5-dibromo-2-[(4-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126206151
1-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219723
1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126225144
4-[[2-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 23827129
2-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 18772896
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126208451
[4-bromo-2-[(2-methylphenyl)iminomethyl]phenyl] 4-methylbenzenesulfonate
CID 126217666
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (CID 126209716) is 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The InChIKey is XMBTUVZAAFHPSW-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H17Br2NO/c1-15-4-2-3-5-20(15)24-13-17-12-19(23)10-11-21(17)25-14-16-6-8-18(22)9-7-16/h2-13H,14H2,1H3/b24-13+.
What are the key properties of 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine has a molecular weight of 459.18 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126209716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).