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

C9H11BrFN3 — CID 62381111

IUPAC1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFN3/c1-2-13-9(12)14-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKeyYOFTXSJRRRGZSM-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.33
Rot. Bonds2

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

1-(5-bromo-2-fluorophenyl)-2-ethylguanidine (PubChem CID 62381111) has the molecular formula C9H11BrFN3 and a molecular weight of 260.11 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
PubChem CID62381111
Molecular FormulaC9H11BrFN3
Molecular Weight260.11 g/mol
Exact Mass259.01
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\N)Nc1cc(Br)ccc1F
InChIInChI=1S/C9H11BrFN3/c1-2-13-9(12)14-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H3,12,13,14)
InChIKeyYOFTXSJRRRGZSM-UHFFFAOYSA-N
XLogP2.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.33
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'}

Analyze 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 62381112
1-(5-bromo-2-methoxyphenyl)-2-ethylguanidine
CID 62380389
1-amino-3-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 116513335
1-amino-3-(5-bromo-2-fluorophenyl)-2-methylguanidine
CID 116510775
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
3-amino-N-(5-bromo-2-fluorophenyl)-3-sulfanylidenepropanamide
CID 43555865
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
CID 62811946
2-ethyl-1-(2-fluoro-3-methylphenyl)guanidine
CID 130497399

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine (CID 62381111) is 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine is CC/N=C(\N)Nc1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine?
The InChIKey is YOFTXSJRRRGZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN3/c1-2-13-9(12)14-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H3,12,13,14).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-ethylguanidine?
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine has a molecular weight of 260.11 g/mol, XLogP of 2.33, 2 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-ethylguanidine is sourced from PubChem (CID 62381111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).