N-(4-bromo-3,5-dimethylphenyl)methanimine

C9H10BrN — CID 118480282

IUPACN-(4-bromo-3,5-dimethylphenyl)methanimine
SMILESC=Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C9H10BrN/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,3H2,1-2H3
InChIKeyRTGLZGIZDZUGDG-UHFFFAOYSA-N
MW212.09 g/mol
LogP3.40
Rot. Bonds1

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

N-(4-bromo-3,5-dimethylphenyl)methanimine (PubChem CID 118480282) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)methanimine
PubChem CID118480282
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)methanimine
SMILESC=Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C9H10BrN/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,3H2,1-2H3
InChIKeyRTGLZGIZDZUGDG-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-isocyanato-1,3-dimethylbenzene
CID 86672765
N-(4-bromo-3-chloro-5-fluorophenyl)methanimine
CID 130179393
N'-(4-bromo-3,5-dimethylphenyl)cyclopropanecarboximidamide
CID 107579379
N-(4-bromo-3,5-dimethylphenyl)-N-oxidohydroxylamine
CID 163605068
2,6-dibromo-3,5-dimethylphenol
CID 10660357
1-(4-bromo-3,5-dimethylphenyl)-2-methylprop-2-en-1-one
CID 114329703
(4-bromo-3,5-dimethylphenoxy)-dimethylsilane
CID 123391922
2-(4-bromo-3,5-dimethylphenoxy)acetonitrile
CID 22688454
2-bromo-5-butyl-1,3-dimethylbenzene
CID 67873453
2-(4-bromo-3-chloro-5-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603138
4-bromo-2,3,5-trimethylphenol
CID 3629334
2,5-dibromo-3-methylphenol
CID 84807682

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)methanimine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)methanimine (CID 118480282) is N-(4-bromo-3,5-dimethylphenyl)methanimine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)methanimine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)methanimine is C=Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)methanimine?
The InChIKey is RTGLZGIZDZUGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,3H2,1-2H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)methanimine?
N-(4-bromo-3,5-dimethylphenyl)methanimine has a molecular weight of 212.09 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)methanimine is sourced from PubChem (CID 118480282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).