1-(5-bromo-2-fluorophenyl)-2-propylguanidine

C10H13BrFN3 — CID 62381112

IUPAC1-(5-bromo-2-fluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFN3/c1-2-5-14-10(13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H3,13,14,15)
InChIKeyKKJXCFBUVJTWMP-UHFFFAOYSA-N
MW274.14 g/mol
LogP2.72
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-propylguanidine

1-(5-bromo-2-fluorophenyl)-2-propylguanidine (PubChem CID 62381112) has the molecular formula C10H13BrFN3 and a molecular weight of 274.14 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-propylguanidine
PubChem CID62381112
Molecular FormulaC10H13BrFN3
Molecular Weight274.14 g/mol
Exact Mass273.03
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFN3/c1-2-5-14-10(13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H3,13,14,15)
InChIKeyKKJXCFBUVJTWMP-UHFFFAOYSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.14
LogP ≤ 52.72
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-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 116513335
1-(2,4-dichlorophenyl)-2-propylguanidine
CID 62380712
1-(2-bromo-4-methylphenyl)-2-propylguanidine
CID 62380328
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
CID 62380389
1-[4-chloro-2-(trifluoromethyl)phenyl]-2-propylguanidine
CID 62379615
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
3-amino-N-(5-bromo-2-fluorophenyl)-3-sulfanylidenepropanamide
CID 43555865
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
1-(2-fluoro-5-methylphenyl)-2-(2-methylpropyl)guanidine
CID 62378730

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-propylguanidine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-propylguanidine (CID 62381112) is 1-(5-bromo-2-fluorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-propylguanidine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-propylguanidine is CCC/N=C(\N)Nc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-propylguanidine?
The InChIKey is KKJXCFBUVJTWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFN3/c1-2-5-14-10(13)15-9-6-7(11)3-4-8(9)12/h3-4,6H,2,5H2,1H3,(H3,13,14,15).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-propylguanidine?
1-(5-bromo-2-fluorophenyl)-2-propylguanidine has a molecular weight of 274.14 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-propylguanidine is sourced from PubChem (CID 62381112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).