4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol

C17H16BrFN2O2 — CID 4250391

IUPAC4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H16BrFN2O2/c18-13-1-4-17(22)12(9-13)11-20-14-2-3-16(15(19)10-14)21-5-7-23-8-6-21/h1-4,9-11,22H,5-8H2/b20-11+
InChIKeyXEMOHTXIVVMCNS-RGVLZGJSSA-N
MW379.23 g/mol
LogP3.88
Rot. Bonds3

About 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol

4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol (PubChem CID 4250391) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
PubChem CID4250391
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H16BrFN2O2/c18-13-1-4-17(22)12(9-13)11-20-14-2-3-16(15(19)10-14)21-5-7-23-8-6-21/h1-4,9-11,22H,5-8H2/b20-11+
InChIKeyXEMOHTXIVVMCNS-RGVLZGJSSA-N
XLogP3.88
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 53.88
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'}

Analyze 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate
CID 135633379
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[(4-fluoro-3-methylphenyl)iminomethyl]phenol
CID 135657407
6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605323
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 126129820
N-(3,4-dichlorophenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126139532
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methylphenyl)methanimine
CID 126135963
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-naphthalen-2-ylmethanimine
CID 126145909
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
N-(3-chloro-4-methylphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)methanimine
CID 126130017
N-(4-bromophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanimine
CID 126089759
1-(3-fluoro-4-morpholin-4-ylphenyl)-N-(4-methoxyphenyl)methanimine
CID 126143320

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol (CID 4250391) is 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol?
The InChIKey is XEMOHTXIVVMCNS-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c18-13-1-4-17(22)12(9-13)11-20-14-2-3-16(15(19)10-14)21-5-7-23-8-6-21/h1-4,9-11,22H,5-8H2/b20-11+.
What are the key properties of 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol?
4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol has a molecular weight of 379.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 4250391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).