1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine

C18H18Br2N2O2 — CID 3296589

IUPAC1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C18H18Br2N2O2/c1-23-18-16(19)10-13(11-17(18)20)12-21-14-2-4-15(5-3-14)22-6-8-24-9-7-22/h2-5,10-12H,6-9H2,1H3/b21-12+
InChIKeyHSXVGQOPPKDKKX-CIAFOILYSA-N
MW454.16 g/mol
LogP4.81
Rot. Bonds4

About 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine

1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 3296589) has the molecular formula C18H18Br2N2O2 and a molecular weight of 454.16 g/mol. Its IUPAC name is 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID3296589
Molecular FormulaC18H18Br2N2O2
Molecular Weight454.16 g/mol
Exact Mass451.97
IUPAC Name1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCOc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C18H18Br2N2O2/c1-23-18-16(19)10-13(11-17(18)20)12-21-14-2-4-15(5-3-14)22-6-8-24-9-7-22/h2-5,10-12H,6-9H2,1H3/b21-12+
InChIKeyHSXVGQOPPKDKKX-CIAFOILYSA-N
XLogP4.81
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.16
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
CID 1276387
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-chloro-4-morpholin-4-ylphenyl)methanimine
CID 4124586
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 3296589) is 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is COc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is HSXVGQOPPKDKKX-CIAFOILYSA-N. The full InChI is InChI=1S/C18H18Br2N2O2/c1-23-18-16(19)10-13(11-17(18)20)12-21-14-2-4-15(5-3-14)22-6-8-24-9-7-22/h2-5,10-12H,6-9H2,1H3/b21-12+.
What are the key properties of 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 454.16 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 3296589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).