1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine

C9H12F2N4 — CID 116512729

IUPAC1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1c(F)cccc1F
InChIInChI=1S/C9H12F2N4/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)
InChIKeyLLAPLMKCAUAZLM-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.22
Rot. Bonds2

About 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine

1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine (PubChem CID 116512729) has the molecular formula C9H12F2N4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
PubChem CID116512729
Molecular FormulaC9H12F2N4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine
SMILESCC/N=C(\NN)Nc1c(F)cccc1F
InChIInChI=1S/C9H12F2N4/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)
InChIKeyLLAPLMKCAUAZLM-UHFFFAOYSA-N
XLogP1.22
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.22
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-bromo-6-fluorophenyl)-2-ethylguanidine
CID 107605052
1-amino-2-ethyl-3-(3-methylsulfanylphenyl)guanidine
CID 116511461
1-amino-2-ethyl-3-quinolin-8-ylguanidine
CID 116511596
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
1-amino-2-ethyl-3-(3-phenoxyphenyl)guanidine
CID 116514295
1-amino-3-(2-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 116512402
1-amino-2-ethyl-3-(4-propylphenyl)guanidine
CID 116513167
1-amino-3-(2-chloro-6-fluorophenyl)-2-cyclopropylguanidine
CID 116516518
1-amino-3-(3-fluoro-2-iodophenyl)-2-(2-methoxyethyl)guanidine
CID 114261793
N'-(2,6-difluorophenyl)-N-methyloxamide
CID 47224850
1-amino-3-(2,6-difluoro-3-methylphenyl)-2-methylguanidine
CID 116510996
1-(2,6-dimethylphenyl)-2-ethylguanidine
CID 62378906

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine?
The IUPAC name of 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine (CID 116512729) is 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine.
What is the SMILES notation for 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine?
The canonical SMILES for 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine is CC/N=C(\NN)Nc1c(F)cccc1F.
What is the InChIKey of 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine?
The InChIKey is LLAPLMKCAUAZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N4/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-(2,6-difluorophenyl)-2-ethylguanidine?
1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine has a molecular weight of 214.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,6-difluorophenyl)-2-ethylguanidine is sourced from PubChem (CID 116512729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).