2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine

C17H24F3N3O2 — CID 111035488

IUPAC2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\CCCOC1CCCCC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O2/c18-17(19,20)25-15-9-7-13(8-10-15)23-16(21)22-11-4-12-24-14-5-2-1-3-6-14/h7-10,14H,1-6,11-12H2,(H3,21,22,23)
InChIKeyREAVVLUTTNHMGR-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.05
Rot. Bonds7

About 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine

2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine (PubChem CID 111035488) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine.

Molecular Properties

Compound Name2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
PubChem CID111035488
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
SMILESN/C(=N\CCCOC1CCCCC1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O2/c18-17(19,20)25-15-9-7-13(8-10-15)23-16(21)22-11-4-12-24-14-5-2-1-3-6-14/h7-10,14H,1-6,11-12H2,(H3,21,22,23)
InChIKeyREAVVLUTTNHMGR-UHFFFAOYSA-N
XLogP4.05
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-ethoxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111025448
2-(5-cyclohexyloxypentyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111808490
2-(3-pyrrolidin-1-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111034774
2-(3-cyclohexyloxypropyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111035501
2-[2-(azepan-1-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111057012
2-(3-cyclopentyloxypropyl)-1-(3-ethylphenyl)guanidine
CID 111090001
2-(5-cyclohexyloxypentyl)-1-(3,4-dimethylphenyl)guanidine
CID 111808468
2-(3-cyclopentyloxypropyl)-1-(3,5-dimethylphenyl)guanidine
CID 111089975
2-[3-(dimethylamino)propyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111023894
2-(3-cyclohexyloxypropyl)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine
CID 111035522
2-[2-(azepan-1-yl)ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111057011
2-(2-cycloheptyloxyethyl)-1-phenylguanidine;hydroiodide
CID 111428491

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
The IUPAC name of 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine (CID 111035488) is 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine.
What is the SMILES notation for 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
The canonical SMILES for 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine is N/C(=N\CCCOC1CCCCC1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
The InChIKey is REAVVLUTTNHMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c18-17(19,20)25-15-9-7-13(8-10-15)23-16(21)22-11-4-12-24-14-5-2-1-3-6-14/h7-10,14H,1-6,11-12H2,(H3,21,22,23).
What are the key properties of 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine?
2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine has a molecular weight of 359.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclohexyloxypropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine is sourced from PubChem (CID 111035488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).