1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine

C22H20BrNO — CID 126208760

IUPAC1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C
InChIInChI=1S/C22H20BrNO/c1-16-8-10-21(12-17(16)2)24-14-19-13-20(23)9-11-22(19)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b24-14+
InChIKeyRCNTXHXNJMYWCN-ZVHZXABRSA-N
MW394.31 g/mol
LogP6.40
Rot. Bonds5

About 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine

1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126208760) has the molecular formula C22H20BrNO and a molecular weight of 394.31 g/mol. Its IUPAC name is 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
PubChem CID126208760
Molecular FormulaC22H20BrNO
Molecular Weight394.31 g/mol
Exact Mass393.07
IUPAC Name1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C
InChIInChI=1S/C22H20BrNO/c1-16-8-10-21(12-17(16)2)24-14-19-13-20(23)9-11-22(19)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b24-14+
InChIKeyRCNTXHXNJMYWCN-ZVHZXABRSA-N
XLogP6.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.31
LogP ≤ 56.40
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-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126218660
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126205106
1-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(2,5-dimethylphenyl)methanimine
CID 126215948
1-(5-bromo-2-phenylmethoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 1270997
1-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126207810
1-[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126219778
2-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]guanidine
CID 16728610
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5415702
1-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126219842

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine (CID 126208760) is 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C.
What is the InChIKey of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is RCNTXHXNJMYWCN-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H20BrNO/c1-16-8-10-21(12-17(16)2)24-14-19-13-20(23)9-11-22(19)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3/b24-14+.
What are the key properties of 1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine?
1-(5-bromo-2-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 394.31 g/mol, XLogP of 6.40, 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-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126208760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).