1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine

C15H14BrNO2 — CID 13212556

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
SMILESCOc1cc(Br)c(/C=N/c2ccccc2)cc1OC
InChIInChI=1S/C15H14BrNO2/c1-18-14-8-11(13(16)9-15(14)19-2)10-17-12-6-4-3-5-7-12/h3-10H,1-2H3/b17-10+
InChIKeyCDXQOERZWIVXOC-LICLKQGHSA-N
MW320.19 g/mol
LogP4.22
Rot. Bonds4

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

1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine (PubChem CID 13212556) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
PubChem CID13212556
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
SMILESCOc1cc(Br)c(/C=N/c2ccccc2)cc1OC
InChIInChI=1S/C15H14BrNO2/c1-18-14-8-11(13(16)9-15(14)19-2)10-17-12-6-4-3-5-7-12/h3-10H,1-2H3/b17-10+
InChIKeyCDXQOERZWIVXOC-LICLKQGHSA-N
XLogP4.22
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine 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-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
1-(2-bromo-4-ethoxy-5-methoxyphenyl)-N-(4-methylphenyl)methanimine
CID 19582469
N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine
CID 13212553
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
5-bromo-2-methoxy-4-[(4-methoxyphenyl)iminomethyl]phenol
CID 137062216
1-(5-bromo-2,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)methanimine
CID 4506437
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 102419767
[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 1381574
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine (CID 13212556) is 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine is COc1cc(Br)c(/C=N/c2ccccc2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine?
The InChIKey is CDXQOERZWIVXOC-LICLKQGHSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-18-14-8-11(13(16)9-15(14)19-2)10-17-12-6-4-3-5-7-12/h3-10H,1-2H3/b17-10+.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine?
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine has a molecular weight of 320.19 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine is sourced from PubChem (CID 13212556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).