2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol

C13H17Br2N2O2+ — CID 135595356

IUPAC2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/CC[NH+]1CCOCC1
InChIInChI=1S/C13H16Br2N2O2/c14-11-7-10(13(18)12(15)8-11)9-16-1-2-17-3-5-19-6-4-17/h7-9,18H,1-6H2/p+1/b16-9+
InChIKeyGTGHHHKSUZARNO-CXUHLZMHSA-O
MW393.10 g/mol
LogP1.25
Rot. Bonds4

About 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol

2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol (PubChem CID 135595356) has the molecular formula C13H17Br2N2O2+ and a molecular weight of 393.10 g/mol. Its IUPAC name is 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol.

Molecular Properties

Compound Name2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
PubChem CID135595356
Molecular FormulaC13H17Br2N2O2+
Molecular Weight393.10 g/mol
Exact Mass390.97
IUPAC Name2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
SMILESOc1c(Br)cc(Br)cc1/C=N/CC[NH+]1CCOCC1
InChIInChI=1S/C13H16Br2N2O2/c14-11-7-10(13(18)12(15)8-11)9-16-1-2-17-3-5-19-6-4-17/h7-9,18H,1-6H2/p+1/b16-9+
InChIKeyGTGHHHKSUZARNO-CXUHLZMHSA-O
XLogP1.25
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol
CID 135730375
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032
2,4-dibromo-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenol
CID 135847639
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
4-(3-morpholin-4-ium-4-ylpropyliminomethyl)phenol
CID 2305947
(E)-4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethylamino]pent-3-en-2-one
CID 177490098
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxane-4-carboxamide
CID 137362102
4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethyl]benzenesulfonamide
CID 136934908
2,4-dibromo-6-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135515693
2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172426
N,N'-bis[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]heptanediamide
CID 136802008

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol?
The IUPAC name of 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol (CID 135595356) is 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol.
What is the SMILES notation for 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol?
The canonical SMILES for 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol is Oc1c(Br)cc(Br)cc1/C=N/CC[NH+]1CCOCC1.
What is the InChIKey of 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol?
The InChIKey is GTGHHHKSUZARNO-CXUHLZMHSA-O. The full InChI is InChI=1S/C13H16Br2N2O2/c14-11-7-10(13(18)12(15)8-11)9-16-1-2-17-3-5-19-6-4-17/h7-9,18H,1-6H2/p+1/b16-9+.
What are the key properties of 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol?
2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol has a molecular weight of 393.10 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol is sourced from PubChem (CID 135595356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).