1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine

C15H21F2N3 — CID 62615976

IUPAC1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
SMILESN/C(=N\CCc1cc(F)cc(F)c1)NC1CCCCC1
InChIInChI=1S/C15H21F2N3/c16-12-8-11(9-13(17)10-12)6-7-19-15(18)20-14-4-2-1-3-5-14/h8-10,14H,1-7H2,(H3,18,19,20)
InChIKeyFISYURMYVOUMMW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.74
Rot. Bonds4

About 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine

1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine (PubChem CID 62615976) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
PubChem CID62615976
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
SMILESN/C(=N\CCc1cc(F)cc(F)c1)NC1CCCCC1
InChIInChI=1S/C15H21F2N3/c16-12-8-11(9-13(17)10-12)6-7-19-15(18)20-14-4-2-1-3-5-14/h8-10,14H,1-7H2,(H3,18,19,20)
InChIKeyFISYURMYVOUMMW-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.74
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-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
ethyl 4-[[N'-[2-(3,5-difluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111090312
1-cyclopentyl-2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]guanidine
CID 119119397
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-phenylethyl)guanidine
CID 120671743
1-cyclopentyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
CID 62364271
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
2-[2-(5-bromo-2-fluorophenyl)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119120172
1-[3-(3,5-difluorophenyl)cyclobutyl]-2-(2-phenylethyl)guanidine;hydroiodide
CID 120671742
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
3-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111631963
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine (CID 62615976) is 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine is N/C(=N\CCc1cc(F)cc(F)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine?
The InChIKey is FISYURMYVOUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c16-12-8-11(9-13(17)10-12)6-7-19-15(18)20-14-4-2-1-3-5-14/h8-10,14H,1-7H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine?
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine has a molecular weight of 281.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine is sourced from PubChem (CID 62615976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).