2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol

C18H15Br2F3N2O2 — CID 137172426

IUPAC2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C18H15Br2F3N2O2/c19-12-7-11(17(26)15(20)8-12)10-24-16-2-1-13(9-14(16)18(21,22)23)25-3-5-27-6-4-25/h1-2,7-10,26H,3-6H2/b24-10+
InChIKeyPLCMVRCBZFCOBB-YSURURNPSA-N
MW508.13 g/mol
LogP5.52
Rot. Bonds3

About 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol

2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 137172426) has the molecular formula C18H15Br2F3N2O2 and a molecular weight of 508.13 g/mol. Its IUPAC name is 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID137172426
Molecular FormulaC18H15Br2F3N2O2
Molecular Weight508.13 g/mol
Exact Mass505.95
IUPAC Name2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C18H15Br2F3N2O2/c19-12-7-11(17(26)15(20)8-12)10-24-16-2-1-13(9-14(16)18(21,22)23)25-3-5-27-6-4-25/h1-2,7-10,26H,3-6H2/b24-10+
InChIKeyPLCMVRCBZFCOBB-YSURURNPSA-N
XLogP5.52
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.13
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3467831
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126075496
2,4-dibromo-6-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135515693
[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 1396278
4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 3371696
2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
CID 135595356
4-bromo-2-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 4250391
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
N-(2-fluorophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126081286
N'-hydroxy-4-(1,4-oxazepan-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 76979954
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 137172426) is 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol is Oc1c(Br)cc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is PLCMVRCBZFCOBB-YSURURNPSA-N. The full InChI is InChI=1S/C18H15Br2F3N2O2/c19-12-7-11(17(26)15(20)8-12)10-24-16-2-1-13(9-14(16)18(21,22)23)25-3-5-27-6-4-25/h1-2,7-10,26H,3-6H2/b24-10+.
What are the key properties of 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol?
2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 508.13 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137172426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).