1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine

C11H14F2N4 — CID 103587966

IUPAC1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine
SMILESCc1cc(F)c(N/C(=N/C2CC2)NN)cc1F
InChIInChI=1S/C11H14F2N4/c1-6-4-9(13)10(5-8(6)12)16-11(17-14)15-7-2-3-7/h4-5,7H,2-3,14H2,1H3,(H2,15,16,17)
InChIKeyIRQLDVNMZDURJF-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.67
Rot. Bonds2

About 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine

1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine (PubChem CID 103587966) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine.

Molecular Properties

Compound Name1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine
PubChem CID103587966
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine
SMILESCc1cc(F)c(N/C(=N/C2CC2)NN)cc1F
InChIInChI=1S/C11H14F2N4/c1-6-4-9(13)10(5-8(6)12)16-11(17-14)15-7-2-3-7/h4-5,7H,2-3,14H2,1H3,(H2,15,16,17)
InChIKeyIRQLDVNMZDURJF-UHFFFAOYSA-N
XLogP1.67
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.67
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine?
The IUPAC name of 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine (CID 103587966) is 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine.
What is the SMILES notation for 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine?
The canonical SMILES for 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine is Cc1cc(F)c(N/C(=N/C2CC2)NN)cc1F.
What is the InChIKey of 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine?
The InChIKey is IRQLDVNMZDURJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c1-6-4-9(13)10(5-8(6)12)16-11(17-14)15-7-2-3-7/h4-5,7H,2-3,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine?
1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine has a molecular weight of 240.26 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-cyclopropyl-3-(2,5-difluoro-4-methylphenyl)guanidine is sourced from PubChem (CID 103587966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).