1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine

C21H18BrNO3 — CID 4506437

IUPAC1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br
InChIInChI=1S/C21H18BrNO3/c1-24-20-13-21(25-2)19(22)12-15(20)14-23-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-14H,1-2H3/b23-14+
InChIKeyAGOWORZUIQFHRI-OEAKJJBVSA-N
MW412.28 g/mol
LogP6.01
Rot. Bonds6

About 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine

1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine (PubChem CID 4506437) has the molecular formula C21H18BrNO3 and a molecular weight of 412.28 g/mol. Its IUPAC name is 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine.

Molecular Properties

Compound Name1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
PubChem CID4506437
Molecular FormulaC21H18BrNO3
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC Name1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
SMILESCOc1cc(OC)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br
InChIInChI=1S/C21H18BrNO3/c1-24-20-13-21(25-2)19(22)12-15(20)14-23-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-14H,1-2H3/b23-14+
InChIKeyAGOWORZUIQFHRI-OEAKJJBVSA-N
XLogP6.01
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 1381574
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-iodophenyl)methanimine
CID 1272173
N-(4-phenoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine
CID 4505600
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-(2,5-dimethylfuran-3-yl)-N-(4-phenoxyphenyl)methanimine
CID 956036
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)-N-(4-phenoxyphenyl)methanimine
CID 50859939
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452
2-iodo-6-methoxy-4-[(4-phenoxyphenyl)iminomethyl]phenol
CID 137149845
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The IUPAC name of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine (CID 4506437) is 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine.
What is the SMILES notation for 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The canonical SMILES for 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine is COc1cc(OC)c(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Br.
What is the InChIKey of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
The InChIKey is AGOWORZUIQFHRI-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18BrNO3/c1-24-20-13-21(25-2)19(22)12-15(20)14-23-16-8-10-18(11-9-16)26-17-6-4-3-5-7-17/h3-14H,1-2H3/b23-14+.
What are the key properties of 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine?
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine has a molecular weight of 412.28 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine is sourced from PubChem (CID 4506437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).