1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine

C17H17BrN2O — CID 4665354

IUPAC1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESBrc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H17BrN2O/c18-15-3-1-2-14(12-15)13-19-16-4-6-17(7-5-16)20-8-10-21-11-9-20/h1-7,12-13H,8-11H2/b19-13+
InChIKeyBKUSZQOJLJEYMA-CPNJWEJPSA-N
MW345.24 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine

1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 4665354) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID4665354
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESBrc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H17BrN2O/c18-15-3-1-2-14(12-15)13-19-16-4-6-17(7-5-16)20-8-10-21-11-9-20/h1-7,12-13H,8-11H2/b19-13+
InChIKeyBKUSZQOJLJEYMA-CPNJWEJPSA-N
XLogP4.04
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
1-(3-bromophenyl)-N-(4-fluorophenyl)methanimine
CID 139243964
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
N-(4-morpholin-4-ylsulfonylphenyl)-1-[3-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenyl]methanimine
CID 4105745
N-(4-morpholin-4-ylphenyl)-1-(1-phenylpyrrol-3-yl)methanimine
CID 50854805
1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1270997
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135481875
[3-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 1280920

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 4665354) is 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine is Brc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is BKUSZQOJLJEYMA-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-15-3-1-2-14(12-15)13-19-16-4-6-17(7-5-16)20-8-10-21-11-9-20/h1-7,12-13H,8-11H2/b19-13+.
What are the key properties of 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 345.24 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 4665354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).