1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine

C23H22BrNO — CID 126215948

IUPAC1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
SMILESCc1ccc(COc2ccc(Br)cc2/C=N/c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H22BrNO/c1-16-5-8-19(9-6-16)15-26-23-11-10-21(24)13-20(23)14-25-22-12-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3/b25-14+
InChIKeyIFEADTSSUGBJPZ-AFUMVMLFSA-N
MW408.34 g/mol
LogP6.70
Rot. Bonds5

About 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine

1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine (PubChem CID 126215948) has the molecular formula C23H22BrNO and a molecular weight of 408.34 g/mol. Its IUPAC name is 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
PubChem CID126215948
Molecular FormulaC23H22BrNO
Molecular Weight408.34 g/mol
Exact Mass407.09
IUPAC Name1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
SMILESCc1ccc(COc2ccc(Br)cc2/C=N/c2cc(C)ccc2C)cc1
InChIInChI=1S/C23H22BrNO/c1-16-5-8-19(9-6-16)15-26-23-11-10-21(24)13-20(23)14-25-22-12-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3/b25-14+
InChIKeyIFEADTSSUGBJPZ-AFUMVMLFSA-N
XLogP6.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.34
LogP ≤ 56.70
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-[(4-bromophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209716
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126208760
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126217471
2-[4-bromo-2-[(2,5-dimethylphenyl)iminomethyl]phenoxy]-N-phenylacetamide
CID 126206286
1-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(2,4-dimethylphenyl)methanimine
CID 126215654
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
1-[5-chloro-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126208451
5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
4-bromo-2-fluoro-1-[(4-methylphenyl)methoxy]benzene
CID 146003862
6-bromo-3-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126286380
(NZ)-N-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 5407965
4-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3917454

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine?
The IUPAC name of 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine (CID 126215948) is 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine?
The canonical SMILES for 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine is Cc1ccc(COc2ccc(Br)cc2/C=N/c2cc(C)ccc2C)cc1.
What is the InChIKey of 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine?
The InChIKey is IFEADTSSUGBJPZ-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H22BrNO/c1-16-5-8-19(9-6-16)15-26-23-11-10-21(24)13-20(23)14-25-22-12-17(2)4-7-18(22)3/h4-14H,15H2,1-3H3/b25-14+.
What are the key properties of 1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine?
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine has a molecular weight of 408.34 g/mol, XLogP of 6.70, 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-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine is sourced from PubChem (CID 126215948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).