1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine

C22H20BrNO2 — CID 126224885

IUPAC1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C22H20BrNO2/c1-16-8-6-7-11-20(16)24-14-18-12-19(23)22(21(13-18)25-2)26-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3/b24-14+
InChIKeyXKPPDFSYURZUMG-ZVHZXABRSA-N
MW410.31 g/mol
LogP6.10
Rot. Bonds6

About 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine

1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine (PubChem CID 126224885) has the molecular formula C22H20BrNO2 and a molecular weight of 410.31 g/mol. Its IUPAC name is 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
PubChem CID126224885
Molecular FormulaC22H20BrNO2
Molecular Weight410.31 g/mol
Exact Mass409.07
IUPAC Name1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine
SMILESCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1
InChIInChI=1S/C22H20BrNO2/c1-16-8-6-7-11-20(16)24-14-18-12-19(23)22(21(13-18)25-2)26-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3/b24-14+
InChIKeyXKPPDFSYURZUMG-ZVHZXABRSA-N
XLogP6.10
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.31
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126214078
1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126220285
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethylphenyl)methanimine
CID 126222908
1-[3-bromo-4-[(4-bromophenyl)methoxy]-5-methoxyphenyl]-N-(5-chloro-2-methylphenyl)methanimine
CID 126220707
1-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126219547
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(4-ethoxyphenyl)methanimine
CID 126222022
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126222406
1-[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-(4-methylphenyl)methanimine
CID 126219299
1-[3-bromo-5-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126217209
1-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 3407013
N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110508918
2-(4-bromo-2,6-dimethylphenoxy)-N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19183354

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine (CID 126224885) is 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine is COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1.
What is the InChIKey of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine?
The InChIKey is XKPPDFSYURZUMG-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H20BrNO2/c1-16-8-6-7-11-20(16)24-14-18-12-19(23)22(21(13-18)25-2)26-15-17-9-4-3-5-10-17/h3-14H,15H2,1-2H3/b24-14+.
What are the key properties of 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine?
1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine has a molecular weight of 410.31 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126224885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).