4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol

C19H18BrF3N2O3 — CID 3467831

IUPAC4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O
InChIInChI=1S/C19H18BrF3N2O3/c1-27-17-10-14(20)8-12(18(17)26)11-24-15-9-13(19(21,22)23)2-3-16(15)25-4-6-28-7-5-25/h2-3,8-11,26H,4-7H2,1H3/b24-11+
InChIKeyZBYCWCNTPQCLPN-BHGWPJFGSA-N
MW459.26 g/mol
LogP4.77
Rot. Bonds4

About 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol

4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 3467831) has the molecular formula C19H18BrF3N2O3 and a molecular weight of 459.26 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID3467831
Molecular FormulaC19H18BrF3N2O3
Molecular Weight459.26 g/mol
Exact Mass458.05
IUPAC Name4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O
InChIInChI=1S/C19H18BrF3N2O3/c1-27-17-10-14(20)8-12(18(17)26)11-24-15-9-13(19(21,22)23)2-3-16(15)25-4-6-28-7-5-25/h2-3,8-11,26H,4-7H2,1H3/b24-11+
InChIKeyZBYCWCNTPQCLPN-BHGWPJFGSA-N
XLogP4.77
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]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

4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
2-methoxy-4-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172223
2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172426
4-bromo-2-methoxy-6-[(Z)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 136914683
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
CID 871301
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-hydroxy-3-methoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 993001
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
4-bromo-2-methoxy-6-(3-morpholin-4-ylprop-1-enyl)phenol
CID 67933533

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 3467831) is 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is COc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is ZBYCWCNTPQCLPN-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H18BrF3N2O3/c1-27-17-10-14(20)8-12(18(17)26)11-24-15-9-13(19(21,22)23)2-3-16(15)25-4-6-28-7-5-25/h2-3,8-11,26H,4-7H2,1H3/b24-11+.
What are the key properties of 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 459.26 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3467831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).