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

C20H20BrF3N2O3 — CID 3468160

IUPAC4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O
InChIInChI=1S/C20H20BrF3N2O3/c1-2-29-18-11-15(21)9-13(19(18)27)12-25-16-10-14(20(22,23)24)3-4-17(16)26-5-7-28-8-6-26/h3-4,9-12,27H,2,5-8H2,1H3/b25-12+
InChIKeyBEEPHMGZPUFUFP-BRJLIKDPSA-N
MW473.29 g/mol
LogP5.16
Rot. Bonds5

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

4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (PubChem CID 3468160) has the molecular formula C20H20BrF3N2O3 and a molecular weight of 473.29 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
PubChem CID3468160
Molecular FormulaC20H20BrF3N2O3
Molecular Weight473.29 g/mol
Exact Mass472.06
IUPAC Name4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
SMILESCCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O
InChIInChI=1S/C20H20BrF3N2O3/c1-2-29-18-11-15(21)9-13(19(18)27)12-25-16-10-14(20(22,23)24)3-4-17(16)26-5-7-28-8-6-26/h3-4,9-12,27H,2,5-8H2,1H3/b25-12+
InChIKeyBEEPHMGZPUFUFP-BRJLIKDPSA-N
XLogP5.16
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.29
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol (CID 3468160) is 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is CCOc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O.
What is the InChIKey of 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
The InChIKey is BEEPHMGZPUFUFP-BRJLIKDPSA-N. The full InChI is InChI=1S/C20H20BrF3N2O3/c1-2-29-18-11-15(21)9-13(19(18)27)12-25-16-10-14(20(22,23)24)3-4-17(16)26-5-7-28-8-6-26/h3-4,9-12,27H,2,5-8H2,1H3/b25-12+.
What are the key properties of 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol?
4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol has a molecular weight of 473.29 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 3468160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).