1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine

C18H20FN3 — CID 111101053

IUPAC1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
SMILESCCc1cccc(N/C(N)=N/C2CC2c2ccccc2F)c1
InChIInChI=1S/C18H20FN3/c1-2-12-6-5-7-13(10-12)21-18(20)22-17-11-15(17)14-8-3-4-9-16(14)19/h3-10,15,17H,2,11H2,1H3,(H3,20,21,22)
InChIKeyYSONFNSLNMAEAN-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine

1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine (PubChem CID 111101053) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
PubChem CID111101053
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine
SMILESCCc1cccc(N/C(N)=N/C2CC2c2ccccc2F)c1
InChIInChI=1S/C18H20FN3/c1-2-12-6-5-7-13(10-12)21-18(20)22-17-11-15(17)14-8-3-4-9-16(14)19/h3-10,15,17H,2,11H2,1H3,(H3,20,21,22)
InChIKeyYSONFNSLNMAEAN-UHFFFAOYSA-N
XLogP3.67
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(3,5-dimethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111101022
1-(3-ethylphenyl)-2-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111069217
1-(3-ethylphenyl)-2-[(1R,2S)-2-propan-2-ylcyclopropyl]guanidine
CID 122098888
1-(3-ethylphenyl)-2-(2-propylcyclopropyl)guanidine
CID 111822761
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111101086
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111815333
1-(3-ethylphenyl)-2-(2,4,5-trifluorophenyl)guanidine
CID 139704563
1-(3-methylphenyl)-2-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111046076
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine (CID 111101053) is 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine is CCc1cccc(N/C(N)=N/C2CC2c2ccccc2F)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine?
The InChIKey is YSONFNSLNMAEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-2-12-6-5-7-13(10-12)21-18(20)22-17-11-15(17)14-8-3-4-9-16(14)19/h3-10,15,17H,2,11H2,1H3,(H3,20,21,22).
What are the key properties of 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine?
1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine has a molecular weight of 297.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-[2-(2-fluorophenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111101053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).