1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine

C20H15BrClNO — CID 126205106

IUPAC1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1
InChIInChI=1S/C20H15BrClNO/c21-17-9-10-20(24-14-15-5-4-6-18(22)11-15)16(12-17)13-23-19-7-2-1-3-8-19/h1-13H,14H2/b23-13+
InChIKeyACUIIKRQMMFTRM-YDZHTSKRSA-N
MW400.70 g/mol
LogP6.43
Rot. Bonds5

About 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine

1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine (PubChem CID 126205106) has the molecular formula C20H15BrClNO and a molecular weight of 400.70 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
PubChem CID126205106
Molecular FormulaC20H15BrClNO
Molecular Weight400.70 g/mol
Exact Mass399.00
IUPAC Name1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
SMILESClc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1
InChIInChI=1S/C20H15BrClNO/c21-17-9-10-20(24-14-15-5-4-6-18(22)11-15)16(12-17)13-23-19-7-2-1-3-8-19/h1-13H,14H2/b23-13+
InChIKeyACUIIKRQMMFTRM-YDZHTSKRSA-N
XLogP6.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530433
1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210174
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599748
1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1270997
4-[[4-chloro-2-(phenyliminomethyl)phenoxy]methyl]benzoic acid
CID 126224839
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868
1-[3,5-dibromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-nitrophenyl)methanimine
CID 126052498

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine (CID 126205106) is 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine is Clc1cccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c1.
What is the InChIKey of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
The InChIKey is ACUIIKRQMMFTRM-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H15BrClNO/c21-17-9-10-20(24-14-15-5-4-6-18(22)11-15)16(12-17)13-23-19-7-2-1-3-8-19/h1-13H,14H2/b23-13+.
What are the key properties of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine?
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine has a molecular weight of 400.70 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine is sourced from PubChem (CID 126205106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).