4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol

C24H23BrN2O2 — CID 3371696

IUPAC4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1
InChIInChI=1S/C24H23BrN2O2/c25-21-16-19(14-18-6-2-1-3-7-18)15-20(24(21)28)17-26-22-8-4-5-9-23(22)27-10-12-29-13-11-27/h1-9,15-17,28H,10-14H2/b26-17+
InChIKeyTVCOEXVXYWMNGE-YZSQISJMSA-N
MW451.36 g/mol
LogP5.33
Rot. Bonds5

About 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol

4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol (PubChem CID 3371696) has the molecular formula C24H23BrN2O2 and a molecular weight of 451.36 g/mol. Its IUPAC name is 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
PubChem CID3371696
Molecular FormulaC24H23BrN2O2
Molecular Weight451.36 g/mol
Exact Mass450.09
IUPAC Name4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
SMILESOc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1
InChIInChI=1S/C24H23BrN2O2/c25-21-16-19(14-18-6-2-1-3-7-18)15-20(24(21)28)17-26-22-8-4-5-9-23(22)27-10-12-29-13-11-27/h1-9,15-17,28H,10-14H2/b26-17+
InChIKeyTVCOEXVXYWMNGE-YZSQISJMSA-N
XLogP5.33
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol
CID 135810605
4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983
N-(2-morpholin-4-ylphenyl)-1-(2,3,4,5,6-pentafluorophenyl)methanimine
CID 2356378
2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
4-benzyl-2-[(Z)-[(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-6-nitrophenol
CID 136844832
2,4-dibromo-6-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 137172426
N-(2-bromophenyl)-1-(2-methyl-4-morpholin-4-ylphenyl)methanimine
CID 126075496
N-[3-[(5-benzyl-3-bromo-2-hydroxyphenyl)methylideneamino]-4-chlorophenyl]butanamide
CID 4508385
4-(4-benzylphenyl)morpholine
CID 11514364
4-bromo-2-methoxy-6-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 3467831
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1270997

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol?
The IUPAC name of 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol (CID 3371696) is 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol is Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCOCC1.
What is the InChIKey of 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol?
The InChIKey is TVCOEXVXYWMNGE-YZSQISJMSA-N. The full InChI is InChI=1S/C24H23BrN2O2/c25-21-16-19(14-18-6-2-1-3-7-18)15-20(24(21)28)17-26-22-8-4-5-9-23(22)27-10-12-29-13-11-27/h1-9,15-17,28H,10-14H2/b26-17+.
What are the key properties of 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol?
4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol has a molecular weight of 451.36 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-bromo-6-[(2-morpholin-4-ylphenyl)iminomethyl]phenol is sourced from PubChem (CID 3371696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).