1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine

C19H21BrN2O2 — CID 3910850

IUPAC1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCCOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-2-24-19-8-3-16(20)13-15(19)14-21-17-4-6-18(7-5-17)22-9-11-23-12-10-22/h3-8,13-14H,2,9-12H2,1H3/b21-14+
InChIKeyJOWHLVYTVNILOE-KGENOOAVSA-N
MW389.29 g/mol
LogP4.43
Rot. Bonds5

About 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine

1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (PubChem CID 3910850) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
PubChem CID3910850
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
SMILESCCOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21BrN2O2/c1-2-24-19-8-3-16(20)13-15(19)14-21-17-4-6-18(7-5-17)22-9-11-23-12-10-22/h3-8,13-14H,2,9-12H2,1H3/b21-14+
InChIKeyJOWHLVYTVNILOE-KGENOOAVSA-N
XLogP4.43
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1270997
1-(3-ethoxy-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 23853870
2-ethoxy-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135812320
4-(3,4-diethoxyphenyl)morpholine
CID 154477521
5-[(5-bromo-2-ethoxyphenyl)methylideneamino]-2-hydroxybenzoic acid
CID 50885110
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
2-ethoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]-4-[[3-(trifluoromethyl)phenyl]diazenyl]phenol
CID 3127855
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
methyl 2-[2-bromo-4-[(4-morpholin-4-ylphenyl)iminomethyl]phenoxy]acetate
CID 1276387
4-[[4-bromo-2-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126221971
2-methoxy-6-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 785168

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The IUPAC name of 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine (CID 3910850) is 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The canonical SMILES for 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is CCOc1ccc(Br)cc1/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
The InChIKey is JOWHLVYTVNILOE-KGENOOAVSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-2-24-19-8-3-16(20)13-15(19)14-21-17-4-6-18(7-5-17)22-9-11-23-12-10-22/h3-8,13-14H,2,9-12H2,1H3/b21-14+.
What are the key properties of 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine?
1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine has a molecular weight of 389.29 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-ethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine is sourced from PubChem (CID 3910850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).