1-(3-bromo-4-methylphenyl)-2-methylguanidine

C9H12BrN3 — CID 63334511

IUPAC1-(3-bromo-4-methylphenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C9H12BrN3/c1-6-3-4-7(5-8(6)10)13-9(11)12-2/h3-5H,1-2H3,(H3,11,12,13)
InChIKeyZVEOVARMYPCNAX-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.11
Rot. Bonds1

About 1-(3-bromo-4-methylphenyl)-2-methylguanidine

1-(3-bromo-4-methylphenyl)-2-methylguanidine (PubChem CID 63334511) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-methylguanidine
PubChem CID63334511
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name1-(3-bromo-4-methylphenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C9H12BrN3/c1-6-3-4-7(5-8(6)10)13-9(11)12-2/h3-5H,1-2H3,(H3,11,12,13)
InChIKeyZVEOVARMYPCNAX-UHFFFAOYSA-N
XLogP2.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.11
H-Bond Donors ≤ 52
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

1-(3-bromo-4-methylphenyl)-2-(2-methylpropyl)guanidine
CID 63334509
2-methyl-1-[4-methyl-3-(trifluoromethyl)phenyl]guanidine
CID 62381123
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
N-(3-bromo-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77011754
1-(3,4-dimethoxyphenyl)-2-methylguanidine
CID 62381082
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-methylguanidine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-methylguanidine (CID 63334511) is 1-(3-bromo-4-methylphenyl)-2-methylguanidine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-methylguanidine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-methylguanidine is C/N=C(\N)Nc1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-methylguanidine?
The InChIKey is ZVEOVARMYPCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-6-3-4-7(5-8(6)10)13-9(11)12-2/h3-5H,1-2H3,(H3,11,12,13).
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-methylguanidine?
1-(3-bromo-4-methylphenyl)-2-methylguanidine has a molecular weight of 242.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-methylguanidine is sourced from PubChem (CID 63334511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).