1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine

C15H21F2N3O — CID 111806172

IUPAC1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
SMILESN/C(=N\CCOc1ccc(F)c(F)c1)NC1CCCCC1
InChIInChI=1S/C15H21F2N3O/c16-13-7-6-12(10-14(13)17)21-9-8-19-15(18)20-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H3,18,19,20)
InChIKeyWAESWVZKQGARIP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.58
Rot. Bonds5

About 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine

1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine (PubChem CID 111806172) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
PubChem CID111806172
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
SMILESN/C(=N\CCOc1ccc(F)c(F)c1)NC1CCCCC1
InChIInChI=1S/C15H21F2N3O/c16-13-7-6-12(10-14(13)17)21-9-8-19-15(18)20-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H3,18,19,20)
InChIKeyWAESWVZKQGARIP-UHFFFAOYSA-N
XLogP2.58
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenoxy)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119117520
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
CID 111088217
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-tert-butyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
CID 111806182
1-cyclohexyl-2-[2-(4-methylsulfonylphenoxy)ethyl]guanidine;hydroiodide
CID 111805015
1-cyclopropyl-2-[2-(3,4-difluorophenoxy)ethyl]-3-ethylguanidine;hydroiodide
CID 111548994
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
2-[2-(3,4-difluorophenoxy)ethyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111806150
N-cyclohexyl-2-(3,4-difluorophenoxy)acetamide
CID 78767908

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine (CID 111806172) is 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine is N/C(=N\CCOc1ccc(F)c(F)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine?
The InChIKey is WAESWVZKQGARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c16-13-7-6-12(10-14(13)17)21-9-8-19-15(18)20-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine?
1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine has a molecular weight of 297.35 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine is sourced from PubChem (CID 111806172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).