1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine

C22H19BrClNO — CID 126219778

IUPAC1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19BrClNO/c1-2-16-6-9-21(10-7-16)25-14-18-13-19(23)8-11-22(18)26-15-17-4-3-5-20(24)12-17/h3-14H,2,15H2,1H3/b25-14+
InChIKeySFMZOZMRBNVJKC-AFUMVMLFSA-N
MW428.76 g/mol
LogP6.99
Rot. Bonds6

About 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine

1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (PubChem CID 126219778) has the molecular formula C22H19BrClNO and a molecular weight of 428.76 g/mol. Its IUPAC name is 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
PubChem CID126219778
Molecular FormulaC22H19BrClNO
Molecular Weight428.76 g/mol
Exact Mass427.03
IUPAC Name1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
SMILESCCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1
InChIInChI=1S/C22H19BrClNO/c1-2-16-6-9-21(10-7-16)25-14-18-13-19(23)8-11-22(18)26-15-17-4-3-5-20(24)12-17/h3-14H,2,15H2,1H3/b25-14+
InChIKeySFMZOZMRBNVJKC-AFUMVMLFSA-N
XLogP6.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.76
LogP ≤ 56.99
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-phenylmethanimine
CID 126205106
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530433
5-[[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599748
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126221091
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126205449
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
1-[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210174
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
4-[[4-bromo-2-[(4-ethoxyphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126221971
1-[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209716
4-bromo-2-[(3-chlorophenyl)methoxy]aniline
CID 65342868

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine (CID 126219778) is 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine is CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
The InChIKey is SFMZOZMRBNVJKC-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H19BrClNO/c1-2-16-6-9-21(10-7-16)25-14-18-13-19(23)8-11-22(18)26-15-17-4-3-5-20(24)12-17/h3-14H,2,15H2,1H3/b25-14+.
What are the key properties of 1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine?
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine has a molecular weight of 428.76 g/mol, XLogP of 6.99, 6 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-(4-ethylphenyl)methanimine is sourced from PubChem (CID 126219778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).