N'-(3-bromo-4-methylphenyl)ethanimidamide

C9H11BrN2 — CID 63334593

IUPACN'-(3-bromo-4-methylphenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(C)c(Br)c1
InChIInChI=1S/C9H11BrN2/c1-6-3-4-8(5-9(6)10)12-7(2)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyPNZIQNSTCXLGCN-UHFFFAOYSA-N
MW227.11 g/mol
LogP2.77
Rot. Bonds1

About N'-(3-bromo-4-methylphenyl)ethanimidamide

N'-(3-bromo-4-methylphenyl)ethanimidamide (PubChem CID 63334593) has the molecular formula C9H11BrN2 and a molecular weight of 227.11 g/mol. Its IUPAC name is N'-(3-bromo-4-methylphenyl)ethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylphenyl)ethanimidamide
PubChem CID63334593
Molecular FormulaC9H11BrN2
Molecular Weight227.11 g/mol
Exact Mass226.01
IUPAC NameN'-(3-bromo-4-methylphenyl)ethanimidamide
SMILESC/C(N)=N\c1ccc(C)c(Br)c1
InChIInChI=1S/C9H11BrN2/c1-6-3-4-8(5-9(6)10)12-7(2)11/h3-5H,1-2H3,(H2,11,12)
InChIKeyPNZIQNSTCXLGCN-UHFFFAOYSA-N
XLogP2.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.11
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-3-methylphenyl)-1-(diaminomethylidene)guanidine;hydrochloride
CID 2730272
1-(3-bromo-4-methylphenyl)-2-methylguanidine
CID 63334511
N'-(3-hydroxyphenyl)ethanimidamide
CID 10681010
N'-(3-bromo-5-chlorophenyl)ethanimidamide;hydrochloride
CID 68635443
2-(3-bromo-4-methylphenyl)ethanethioamide
CID 130704971
2-bromo-1,4-dimethylbenzene;ethane
CID 142028009
2-(4-bromo-3-chlorophenyl)guanidine
CID 54562942
N-[(3-bromo-4-methylphenyl)methylidene]hydroxylamine
CID 86694674
N'-(3,5-dichlorophenyl)ethanimidamide
CID 63173176
N'-(2-methyl-3H-benzimidazol-5-yl)ethanimidamide
CID 59210445
N'-(4-chloro-3-methoxyphenyl)ethanimidamide
CID 107623277
N-(3-bromo-4-methylphenyl)acetohydrazide
CID 82293551

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylphenyl)ethanimidamide?
The IUPAC name of N'-(3-bromo-4-methylphenyl)ethanimidamide (CID 63334593) is N'-(3-bromo-4-methylphenyl)ethanimidamide.
What is the SMILES notation for N'-(3-bromo-4-methylphenyl)ethanimidamide?
The canonical SMILES for N'-(3-bromo-4-methylphenyl)ethanimidamide is C/C(N)=N\c1ccc(C)c(Br)c1.
What is the InChIKey of N'-(3-bromo-4-methylphenyl)ethanimidamide?
The InChIKey is PNZIQNSTCXLGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2/c1-6-3-4-8(5-9(6)10)12-7(2)11/h3-5H,1-2H3,(H2,11,12).
What are the key properties of N'-(3-bromo-4-methylphenyl)ethanimidamide?
N'-(3-bromo-4-methylphenyl)ethanimidamide has a molecular weight of 227.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylphenyl)ethanimidamide is sourced from PubChem (CID 63334593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).