1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine

C20H23F2N3O2 — CID 111815388

IUPAC1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine
SMILESCCOc1ccc(OCC)c(N/C(N)=N/C2CC2c2c(F)cccc2F)c1
InChIInChI=1S/C20H23F2N3O2/c1-3-26-12-8-9-18(27-4-2)17(10-12)25-20(23)24-16-11-13(16)19-14(21)6-5-7-15(19)22/h5-10,13,16H,3-4,11H2,1-2H3,(H3,23,24,25)
InChIKeyRNWXQYHODRAWIJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.04
Rot. Bonds7

About 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine

1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine (PubChem CID 111815388) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine
PubChem CID111815388
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine
SMILESCCOc1ccc(OCC)c(N/C(N)=N/C2CC2c2c(F)cccc2F)c1
InChIInChI=1S/C20H23F2N3O2/c1-3-26-12-8-9-18(27-4-2)17(10-12)25-20(23)24-16-11-13(16)19-14(21)6-5-7-15(19)22/h5-10,13,16H,3-4,11H2,1-2H3,(H3,23,24,25)
InChIKeyRNWXQYHODRAWIJ-UHFFFAOYSA-N
XLogP4.04
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.04
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-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 119148151
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111815333
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
1-(2,5-diethoxyphenyl)-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804440
2-(cyclopropylmethyl)-1-(2,5-diethoxyphenyl)guanidine;hydroiodide
CID 111040816
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
2-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-1-(2,5-dimethoxyphenyl)guanidine
CID 120671424
1-tert-butyl-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111815381
1-(2,5-diethoxyphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072870
1-(2,5-diethoxyphenyl)-2-[[3-(methoxymethyl)phenyl]methyl]guanidine
CID 111054067
1-(2,5-diethoxyphenyl)-2-(2-ethylbutyl)guanidine;hydroiodide
CID 111800679
1-(2,5-diethoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine
CID 111023388

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine?
The IUPAC name of 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine (CID 111815388) is 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine?
The canonical SMILES for 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine is CCOc1ccc(OCC)c(N/C(N)=N/C2CC2c2c(F)cccc2F)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine?
The InChIKey is RNWXQYHODRAWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-3-26-12-8-9-18(27-4-2)17(10-12)25-20(23)24-16-11-13(16)19-14(21)6-5-7-15(19)22/h5-10,13,16H,3-4,11H2,1-2H3,(H3,23,24,25).
What are the key properties of 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine?
1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine has a molecular weight of 375.42 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine is sourced from PubChem (CID 111815388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).