2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol

C15H21Br2N2O2+ — CID 135730375

IUPAC2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol
SMILESCC(C)(C/N=C/c1cc(Br)cc(Br)c1O)[NH+]1CCOCC1
InChIInChI=1S/C15H20Br2N2O2/c1-15(2,19-3-5-21-6-4-19)10-18-9-11-7-12(16)8-13(17)14(11)20/h7-9,20H,3-6,10H2,1-2H3/p+1/b18-9+
InChIKeyUKHYIMAYOZQZSO-GIJQJNRQSA-O
MW421.15 g/mol
LogP2.03
Rot. Bonds4

About 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol

2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol (PubChem CID 135730375) has the molecular formula C15H21Br2N2O2+ and a molecular weight of 421.15 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol
PubChem CID135730375
Molecular FormulaC15H21Br2N2O2+
Molecular Weight421.15 g/mol
Exact Mass419.00
IUPAC Name2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol
SMILESCC(C)(C/N=C/c1cc(Br)cc(Br)c1O)[NH+]1CCOCC1
InChIInChI=1S/C15H20Br2N2O2/c1-15(2,19-3-5-21-6-4-19)10-18-9-11-7-12(16)8-13(17)14(11)20/h7-9,20H,3-6,10H2,1-2H3/p+1/b18-9+
InChIKeyUKHYIMAYOZQZSO-GIJQJNRQSA-O
XLogP2.03
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.15
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)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

2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 139083032
2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
CID 135595356
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
1-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]naphthalen-2-ol
CID 135596299
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
2,4-dibromo-6-[(1-propylpiperidin-1-ium-4-yl)iminomethyl]phenol
CID 135847639
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]oxane-4-carboxamide
CID 137362102
(E)-4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethylamino]pent-3-en-2-one
CID 177490098
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 1362925
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

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol (CID 135730375) is 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol is CC(C)(C/N=C/c1cc(Br)cc(Br)c1O)[NH+]1CCOCC1.
What is the InChIKey of 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol?
The InChIKey is UKHYIMAYOZQZSO-GIJQJNRQSA-O. The full InChI is InChI=1S/C15H20Br2N2O2/c1-15(2,19-3-5-21-6-4-19)10-18-9-11-7-12(16)8-13(17)14(11)20/h7-9,20H,3-6,10H2,1-2H3/p+1/b18-9+.
What are the key properties of 2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol?
2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol has a molecular weight of 421.15 g/mol, XLogP of 2.03, 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-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol is sourced from PubChem (CID 135730375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).