1-(2-bromo-4-methylphenyl)-2-propylguanidine

C11H16BrN3 — CID 62380328

IUPAC1-(2-bromo-4-methylphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(C)cc1Br
InChIInChI=1S/C11H16BrN3/c1-3-6-14-11(13)15-10-5-4-8(2)7-9(10)12/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15)
InChIKeyAWZUFNVGVFVHBZ-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.89
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-2-propylguanidine

1-(2-bromo-4-methylphenyl)-2-propylguanidine (PubChem CID 62380328) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-2-propylguanidine
PubChem CID62380328
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(2-bromo-4-methylphenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1ccc(C)cc1Br
InChIInChI=1S/C11H16BrN3/c1-3-6-14-11(13)15-10-5-4-8(2)7-9(10)12/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15)
InChIKeyAWZUFNVGVFVHBZ-UHFFFAOYSA-N
XLogP2.89
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.89
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-(2,4-dichlorophenyl)-2-propylguanidine
CID 62380712
1-(4-methoxy-2-methylphenyl)-2-propylguanidine
CID 62871923
1-(2-bromo-4-methylphenyl)-3-butylurea
CID 28787465
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
1-(2-bromo-4-methylphenyl)-3-methylthiourea
CID 7941197
1-amino-3-(2,4-dimethylphenyl)-2-propylguanidine
CID 116512290
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-propylguanidine
CID 62379615
N-(2-bromo-4-methylphenyl)-2-carbamothioyl-2-methylbutanamide
CID 113270436
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662
2-[(2S)-3-(2-bromo-4-methylanilino)-2-hydroxypropyl]guanidine
CID 6543362

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-2-propylguanidine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-2-propylguanidine (CID 62380328) is 1-(2-bromo-4-methylphenyl)-2-propylguanidine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-2-propylguanidine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-2-propylguanidine is CCC/N=C(\N)Nc1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-2-propylguanidine?
The InChIKey is AWZUFNVGVFVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-3-6-14-11(13)15-10-5-4-8(2)7-9(10)12/h4-5,7H,3,6H2,1-2H3,(H3,13,14,15).
What are the key properties of 1-(2-bromo-4-methylphenyl)-2-propylguanidine?
1-(2-bromo-4-methylphenyl)-2-propylguanidine has a molecular weight of 270.17 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-2-propylguanidine is sourced from PubChem (CID 62380328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).