1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine

C9H12BrFN4 — CID 107605052

IUPAC1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1c(F)cccc1Br
InChIInChI=1S/C9H12BrFN4/c1-2-13-9(15-12)14-8-6(10)4-3-5-7(8)11/h3-5H,2,12H2,1H3,(H2,13,14,15)
InChIKeyZWFNOJCGPJPHMY-UHFFFAOYSA-N
MW275.12 g/mol
LogP1.84
Rot. Bonds2

About 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine

1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine (PubChem CID 107605052) has the molecular formula C9H12BrFN4 and a molecular weight of 275.12 g/mol. Its IUPAC name is 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine
PubChem CID107605052
Molecular FormulaC9H12BrFN4
Molecular Weight275.12 g/mol
Exact Mass274.02
IUPAC Name1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1c(F)cccc1Br
InChIInChI=1S/C9H12BrFN4/c1-2-13-9(15-12)14-8-6(10)4-3-5-7(8)11/h3-5H,2,12H2,1H3,(H2,13,14,15)
InChIKeyZWFNOJCGPJPHMY-UHFFFAOYSA-N
XLogP1.84
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 51.84
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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Related Compounds

1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
CID 116512729
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
CID 116511461
3-amino-N-(2-bromo-6-fluorophenyl)-3-methylbutanamide
CID 107599929
N-(2-bromo-6-fluorophenyl)-2-ethoxyacetamide
CID 71859325
2-bromo-6-fluoro-N-[(E)-1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]but-1-enyl]aniline
CID 170589370
2-bromo-6-fluoro-N-methylaniline
CID 21161540
3-amino-N-(2-bromo-6-fluorophenyl)-2,2,3-trimethylbutanamide
CID 107599820
5-amino-N-(2-bromo-6-fluorophenyl)pentanamide
CID 107599895
methyl 2-(2-bromo-6-fluoroanilino)-2-oxoacetate
CID 107602508
6-amino-N-(2-bromo-6-fluorophenyl)-4-ethylhexanamide
CID 107599928

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine?
The IUPAC name of 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine (CID 107605052) is 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine.
What is the SMILES notation for 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine?
The canonical SMILES for 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine is CC/N=C(\NN)Nc1c(F)cccc1Br.
What is the InChIKey of 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine?
The InChIKey is ZWFNOJCGPJPHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN4/c1-2-13-9(15-12)14-8-6(10)4-3-5-7(8)11/h3-5H,2,12H2,1H3,(H2,13,14,15).
What are the key properties of 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine?
1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine has a molecular weight of 275.12 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-bromo-6-fluorophenyl)-2-ethylguanidine is sourced from PubChem (CID 107605052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).