1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine

C10H13BrCl2N4 — CID 104882726

IUPAC1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H13BrCl2N4/c1-2-3-15-10(17-14)16-9-7(12)4-6(11)5-8(9)13/h4-5H,2-3,14H2,1H3,(H2,15,16,17)
InChIKeyYRDRLKZZTHPRIG-UHFFFAOYSA-N
MW340.05 g/mol
LogP3.40
Rot. Bonds3

About 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine

1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine (PubChem CID 104882726) has the molecular formula C10H13BrCl2N4 and a molecular weight of 340.05 g/mol. Its IUPAC name is 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine
PubChem CID104882726
Molecular FormulaC10H13BrCl2N4
Molecular Weight340.05 g/mol
Exact Mass337.97
IUPAC Name1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine
SMILESCCC/N=C(\NN)Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H13BrCl2N4/c1-2-3-15-10(17-14)16-9-7(12)4-6(11)5-8(9)13/h4-5H,2-3,14H2,1H3,(H2,15,16,17)
InChIKeyYRDRLKZZTHPRIG-UHFFFAOYSA-N
XLogP3.40
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.05
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine?
The IUPAC name of 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine (CID 104882726) is 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine?
The canonical SMILES for 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine is CCC/N=C(\NN)Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine?
The InChIKey is YRDRLKZZTHPRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrCl2N4/c1-2-3-15-10(17-14)16-9-7(12)4-6(11)5-8(9)13/h4-5H,2-3,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine?
1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine has a molecular weight of 340.05 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromo-2,6-dichlorophenyl)-2-propylguanidine is sourced from PubChem (CID 104882726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).