1-(3-bromo-5-methylphenyl)ethanimine

C9H10BrN — CID 90945555

IUPAC1-(3-bromo-5-methylphenyl)ethanimine
SMILES[H]/N=C(\C)c1cc(C)cc(Br)c1
InChIInChI=1S/C9H10BrN/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5,11H,1-2H3/b11-7+
InChIKeyWSORSBGZVPRQGC-YRNVUSSQSA-N
MW212.09 g/mol
LogP3.15
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)ethanimine

1-(3-bromo-5-methylphenyl)ethanimine (PubChem CID 90945555) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)ethanimine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)ethanimine
PubChem CID90945555
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name1-(3-bromo-5-methylphenyl)ethanimine
SMILES[H]/N=C(\C)c1cc(C)cc(Br)c1
InChIInChI=1S/C9H10BrN/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5,11H,1-2H3/b11-7+
InChIKeyWSORSBGZVPRQGC-YRNVUSSQSA-N
XLogP3.15
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)ethanimine;hydrochloride
CID 131845076
2-(3-bromo-5-methylphenyl)-2-oxoacetic acid
CID 117358980
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
ethane;methyl 3-bromo-5-methylbenzoate
CID 143959951
methyl 3-bromo-5-methylbenzenecarboperoxoate
CID 166686866
1-(3-bromo-5-methylphenyl)prop-2-en-1-one
CID 114982463
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
3-chloro-2-ethanimidoyl-5-methylbenzenethiol
CID 176565894
3-bromo-5-methylbenzamide;3-bromo-5-methylbenzoic acid
CID 159591173
4-bromo-2-chloro-6-ethanimidoyl-N-methylaniline
CID 143308609
ethyl 2-(3-bromo-5-methylphenyl)-2-oxoacetate
CID 117430307

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)ethanimine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)ethanimine (CID 90945555) is 1-(3-bromo-5-methylphenyl)ethanimine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)ethanimine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)ethanimine is [H]/N=C(\C)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)ethanimine?
The InChIKey is WSORSBGZVPRQGC-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H10BrN/c1-6-3-8(7(2)11)5-9(10)4-6/h3-5,11H,1-2H3/b11-7+.
What are the key properties of 1-(3-bromo-5-methylphenyl)ethanimine?
1-(3-bromo-5-methylphenyl)ethanimine has a molecular weight of 212.09 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)ethanimine is sourced from PubChem (CID 90945555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).