1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine

C16H24FN3O — CID 111804422

IUPAC1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
SMILESCCOc1ccc(C/N=C(\N)NC2CCCCC2)cc1F
InChIInChI=1S/C16H24FN3O/c1-2-21-15-9-8-12(10-14(15)17)11-19-16(18)20-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H3,18,19,20)
InChIKeyPDFQDCDRQORVRT-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.96
Rot. Bonds5

About 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine

1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine (PubChem CID 111804422) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
PubChem CID111804422
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
SMILESCCOc1ccc(C/N=C(\N)NC2CCCCC2)cc1F
InChIInChI=1S/C16H24FN3O/c1-2-21-15-9-8-12(10-14(15)17)11-19-16(18)20-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H3,18,19,20)
InChIKeyPDFQDCDRQORVRT-UHFFFAOYSA-N
XLogP2.96
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-[(3-bromo-4-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111095617
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylpropyl)guanidine
CID 111804379
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-phenylguanidine
CID 111105561
1-cyclohexyl-2-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111575006
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
1-(2,5-diethoxyphenyl)-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804440
ethyl 4-[[N'-[(4-fluoro-3-methylphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111038534
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
2-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylguanidine
CID 62532592
1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
CID 120603148
1-(1-benzylpiperidin-4-yl)-2-[(4-ethoxy-3-fluorophenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111548868

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine (CID 111804422) is 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine is CCOc1ccc(C/N=C(\N)NC2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine?
The InChIKey is PDFQDCDRQORVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-21-15-9-8-12(10-14(15)17)11-19-16(18)20-13-6-4-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine?
1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine has a molecular weight of 293.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine is sourced from PubChem (CID 111804422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).