1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine

C24H23BrN2O2 — CID 1270997

IUPAC1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESBrc1ccc(OCc2ccccc2)c(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H23BrN2O2/c25-21-6-11-24(29-18-19-4-2-1-3-5-19)20(16-21)17-26-22-7-9-23(10-8-22)27-12-14-28-15-13-27/h1-11,16-17H,12-15,18H2/b26-17+
InChIKeyVVUDJGRAZBZAJG-YZSQISJMSA-N
MW451.36 g/mol
LogP5.62
Rot. Bonds6

About 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine

1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 1270997) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID1270997
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESBrc1ccc(OCc2ccccc2)c(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C24H23BrN2O2/c25-21-6-11-24(29-18-19-4-2-1-3-5-19)20(16-21)17-26-22-7-9-23(10-8-22)27-12-14-28-15-13-27/h1-11,16-17H,12-15,18H2/b26-17+
InChIKeyVVUDJGRAZBZAJG-YZSQISJMSA-N
XLogP5.62
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.62
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

1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 5105286
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
1-[2,5-dimethyl-1-(4-phenylmethoxyphenyl)pyrrol-3-yl]-N-(4-morpholin-4-ylphenyl)methanimine
CID 5011021
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3362135
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
CID 16728610
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 1270997) is 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is Brc1ccc(OCc2ccccc2)c(/C=N/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is VVUDJGRAZBZAJG-YZSQISJMSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c25-21-6-11-24(29-18-19-4-2-1-3-5-19)20(16-21)17-26-22-7-9-23(10-8-22)27-12-14-28-15-13-27/h1-11,16-17H,12-15,18H2/b26-17+.
What are the key properties of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 451.36 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 1270997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).