3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine

C10H15FN4 — CID 116510824

IUPAC3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine
SMILESCCN(/C(=N/C)NN)c1ccc(F)cc1
InChIInChI=1S/C10H15FN4/c1-3-15(10(13-2)14-12)9-6-4-8(11)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyWQSJVCFDEJRMBH-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.10
Rot. Bonds2

About 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine

3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine (PubChem CID 116510824) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine
PubChem CID116510824
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC Name3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine
SMILESCCN(/C(=N/C)NN)c1ccc(F)cc1
InChIInChI=1S/C10H15FN4/c1-3-15(10(13-2)14-12)9-6-4-8(11)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14)
InChIKeyWQSJVCFDEJRMBH-UHFFFAOYSA-N
XLogP1.10
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
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

3-amino-1-ethyl-2-methyl-1-(4-methylphenyl)guanidine
CID 116510832
(3Z)-3-amino-N-ethyl-N-(4-fluorophenyl)-3-hydroxyiminopropanamide
CID 55135186
1-ethyl-1-(4-fluorophenyl)-2-propylguanidine
CID 62362369
3-chloro-1-ethyl-1-(4-fluorophenyl)urea
CID 87646855
3-amino-1-ethyl-1-(3-fluorophenyl)-2-phenylguanidine
CID 116514116
2-cyclopropyl-1-ethyl-1-(4-fluorophenyl)guanidine
CID 62362594
(2S)-2-amino-N-ethyl-N-(4-fluorophenyl)propanamide;hydrochloride
CID 119271831
2-(2-aminophenoxy)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 61026892
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
N-ethyl-2-(ethylamino)-N-(4-fluorophenyl)-2-methylpropanamide
CID 55121871
N-ethyl-N-(4-fluorophenyl)-2-(propan-2-ylamino)acetamide
CID 60683040

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine?
The IUPAC name of 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine (CID 116510824) is 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine.
What is the SMILES notation for 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine?
The canonical SMILES for 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine is CCN(/C(=N/C)NN)c1ccc(F)cc1.
What is the InChIKey of 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine?
The InChIKey is WQSJVCFDEJRMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-3-15(10(13-2)14-12)9-6-4-8(11)5-7-9/h4-7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine?
3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine has a molecular weight of 210.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-1-(4-fluorophenyl)-2-methylguanidine is sourced from PubChem (CID 116510824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).