4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol

C17H17BrN2O2 — CID 5166404

IUPAC4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESOc1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H17BrN2O2/c18-17-6-5-16(21)11-13(17)12-19-14-1-3-15(4-2-14)20-7-9-22-10-8-20/h1-6,11-12,21H,7-10H2/b19-12+
InChIKeyZDQWPDIUCKURIP-XDHOZWIPSA-N
MW361.24 g/mol
LogP3.74
Rot. Bonds3

About 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol

4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol (PubChem CID 5166404) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
PubChem CID5166404
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC Name4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESOc1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C17H17BrN2O2/c18-17-6-5-16(21)11-13(17)12-19-14-1-3-15(4-2-14)20-7-9-22-10-8-20/h1-6,11-12,21H,7-10H2/b19-12+
InChIKeyZDQWPDIUCKURIP-XDHOZWIPSA-N
XLogP3.74
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
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

4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 914052
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
N-(4-bromo-3-methylphenyl)-1-(2-methoxy-4-morpholin-4-ylphenyl)methanimine
CID 126227520
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
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
2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172426
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1276317
4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 4250391
2-iodo-6-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 137125019

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol (CID 5166404) is 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol is Oc1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
The InChIKey is ZDQWPDIUCKURIP-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c18-17-6-5-16(21)11-13(17)12-19-14-1-3-15(4-2-14)20-7-9-22-10-8-20/h1-6,11-12,21H,7-10H2/b19-12+.
What are the key properties of 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol?
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol has a molecular weight of 361.24 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 5166404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).