methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate

C20H21BrN2O4 — CID 1276387

IUPACmethyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C20H21BrN2O4/c1-25-20(24)14-27-19-7-2-15(12-18(19)21)13-22-16-3-5-17(6-4-16)23-8-10-26-11-9-23/h2-7,12-13H,8-11,14H2,1H3/b22-13+
InChIKeyBNQKEOPZJXPBCL-LPYMAVHISA-N
MW433.30 g/mol
LogP3.59
Rot. Bonds6

About methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate

methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate (PubChem CID 1276387) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
PubChem CID1276387
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Namemethyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
SMILESCOC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br
InChIInChI=1S/C20H21BrN2O4/c1-25-20(24)14-27-19-7-2-15(12-18(19)21)13-22-16-3-5-17(6-4-16)23-8-10-26-11-9-23/h2-7,12-13H,8-11,14H2,1H3/b22-13+
InChIKeyBNQKEOPZJXPBCL-LPYMAVHISA-N
XLogP3.59
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate 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-[2-bromo-4-[(4-tert-butylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126375425
2-[2-bromo-4-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126382780
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
2-[4-[[4-(1-adamantyl)phenyl]iminomethyl]-2-bromophenoxy]-1-morpholin-4-ylethanone
CID 126379591
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
2-[2-bromo-4-[(2-bromo-4-methylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126384851
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] 2-chlorobenzoate
CID 1124788
2-[2-bromo-4-[(2-methylsulfanylphenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 126383418
[2-methoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenyl] furan-2-carboxylate
CID 23789735
3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)benzaldehyde
CID 4288065
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate (CID 1276387) is methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate is COC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Br.
What is the InChIKey of methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate?
The InChIKey is BNQKEOPZJXPBCL-LPYMAVHISA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-25-20(24)14-27-19-7-2-15(12-18(19)21)13-22-16-3-5-17(6-4-16)23-8-10-26-11-9-23/h2-7,12-13H,8-11,14H2,1H3/b22-13+.
What are the key properties of methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate?
methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate has a molecular weight of 433.30 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate is sourced from PubChem (CID 1276387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).