2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol

C26H25F3N4O3 — CID 3127855

IUPAC2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol
SMILESCCOc1cc(/N=N/c2cccc(C(F)(F)F)c2)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O
InChIInChI=1S/C26H25F3N4O3/c1-2-36-24-16-22(32-31-21-5-3-4-19(15-21)26(27,28)29)14-18(25(24)34)17-30-20-6-8-23(9-7-20)33-10-12-35-13-11-33/h3-9,14-17,34H,2,10-13H2,1H3/b30-17+,32-31+
InChIKeyCXBGUBGGULYNTI-PYLJCRHBSA-N
MW498.51 g/mol
LogP6.81
Rot. Bonds7

About 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol

2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol (PubChem CID 3127855) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol
PubChem CID3127855
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol
SMILESCCOc1cc(/N=N/c2cccc(C(F)(F)F)c2)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O
InChIInChI=1S/C26H25F3N4O3/c1-2-36-24-16-22(32-31-21-5-3-4-19(15-21)26(27,28)29)14-18(25(24)34)17-30-20-6-8-23(9-7-20)33-10-12-35-13-11-33/h3-9,14-17,34H,2,10-13H2,1H3/b30-17+,32-31+
InChIKeyCXBGUBGGULYNTI-PYLJCRHBSA-N
XLogP6.81
TPSA79.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.51
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3910850
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
4-[(3-bromophenyl)diazenyl]-2-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3892840
(3-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 88875102
1-(2-methoxy-4-morpholin-4-ylphenyl)-N-(3-methylphenyl)methanimine
CID 126238269
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

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol?
The IUPAC name of 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol (CID 3127855) is 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol?
The canonical SMILES for 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol is CCOc1cc(/N=N/c2cccc(C(F)(F)F)c2)cc(/C=N/c2ccc(N3CCOCC3)cc2)c1O.
What is the InChIKey of 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol?
The InChIKey is CXBGUBGGULYNTI-PYLJCRHBSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c1-2-36-24-16-22(32-31-21-5-3-4-19(15-21)26(27,28)29)14-18(25(24)34)17-30-20-6-8-23(9-7-20)33-10-12-35-13-11-33/h3-9,14-17,34H,2,10-13H2,1H3/b30-17+,32-31+.
What are the key properties of 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol?
2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol has a molecular weight of 498.51 g/mol, XLogP of 6.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol is sourced from PubChem (CID 3127855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).