2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine

C18H19ClFN3O2 — CID 119148151

IUPAC2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/C2CC2c2c(F)cccc2Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c1-24-10-6-7-16(25-2)15(8-10)23-18(21)22-14-9-11(14)17-12(19)4-3-5-13(17)20/h3-8,11,14H,9H2,1-2H3,(H3,21,22,23)
InChIKeyDFMKJKAYHWOYNI-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.78
Rot. Bonds5

About 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine

2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine (PubChem CID 119148151) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
PubChem CID119148151
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
SMILESCOc1ccc(OC)c(N/C(N)=N/C2CC2c2c(F)cccc2Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c1-24-10-6-7-16(25-2)15(8-10)23-18(21)22-14-9-11(14)17-12(19)4-3-5-13(17)20/h3-8,11,14H,9H2,1-2H3,(H3,21,22,23)
InChIKeyDFMKJKAYHWOYNI-UHFFFAOYSA-N
XLogP3.78
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 120671424
1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine
CID 111815388
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111815333
1-(2,5-dimethoxyphenyl)-2-[2-(4-propan-2-ylphenyl)cyclopropyl]guanidine
CID 111818806
2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818759
1-(3-chloro-4-methoxyphenyl)-2-[(1R,2S)-2-(3-methoxyphenyl)cyclopropyl]guanidine
CID 122097961
2-(2-cyclohexylcyclopropyl)-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111820031
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
2-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 839117
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
ethyl 4-[[N'-[2-(2-chloro-6-fluorophenyl)cyclopropyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111818751
3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine (CID 119148151) is 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine is COc1ccc(OC)c(N/C(N)=N/C2CC2c2c(F)cccc2Cl)c1.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
The InChIKey is DFMKJKAYHWOYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-24-10-6-7-16(25-2)15(8-10)23-18(21)22-14-9-11(14)17-12(19)4-3-5-13(17)20/h3-8,11,14H,9H2,1-2H3,(H3,21,22,23).
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine?
2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine has a molecular weight of 363.82 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine is sourced from PubChem (CID 119148151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).