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

C16H16BrNO2 — CID 13212553

IUPACN-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine
SMILESCOc1cc(Br)c(/C=N/Cc2ccccc2)cc1OC
InChIInChI=1S/C16H16BrNO2/c1-19-15-8-13(14(17)9-16(15)20-2)11-18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b18-11+
InChIKeyHJBGIHVEAAXFLO-WOJGMQOQSA-N
MW334.21 g/mol
LogP4.09
Rot. Bonds5

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

N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine (PubChem CID 13212553) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine
PubChem CID13212553
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine
SMILESCOc1cc(Br)c(/C=N/Cc2ccccc2)cc1OC
InChIInChI=1S/C16H16BrNO2/c1-19-15-8-13(14(17)9-16(15)20-2)11-18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b18-11+
InChIKeyHJBGIHVEAAXFLO-WOJGMQOQSA-N
XLogP4.09
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
1-(2-bromo-4,5-dimethoxyphenyl)-N-[4-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 101215350
2-(benzyliminomethyl)-4-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenol
CID 136947963
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 1001834
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778
[(E)-[2-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]urea
CID 19617566
[(E)-[2-bromo-5-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]thiourea
CID 19579484
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-2-methylaniline
CID 9014557
N-benzyl-2-[5-bromo-2-methoxy-4-[(phenylhydrazinylidene)methyl]phenoxy]acetamide
CID 169383368
3,5-dibromo-N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 3448520
3-[(2Z)-2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 19580133
N-[[2-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 3558422

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine?
The IUPAC name of N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine (CID 13212553) is N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine?
The canonical SMILES for N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine is COc1cc(Br)c(/C=N/Cc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine?
The InChIKey is HJBGIHVEAAXFLO-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-19-15-8-13(14(17)9-16(15)20-2)11-18-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3/b18-11+.
What are the key properties of N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine?
N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine has a molecular weight of 334.21 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-bromo-4,5-dimethoxyphenyl)methanimine is sourced from PubChem (CID 13212553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).