1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine

C19H28F3N3O2 — CID 109404905

IUPAC1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H28F3N3O2/c1-23-18(25-16-9-7-15(8-10-16)19(20,21)22)24-11-12-27-13-14-5-3-4-6-17(14)26-2/h3-6,15-16H,7-13H2,1-2H3,(H2,23,24,25)
InChIKeyPXTIQQSOMHVMAU-UHFFFAOYSA-N
MW387.45 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine

1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine (PubChem CID 109404905) has the molecular formula C19H28F3N3O2 and a molecular weight of 387.45 g/mol. Its IUPAC name is 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine.

Molecular Properties

Compound Name1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
PubChem CID109404905
Molecular FormulaC19H28F3N3O2
Molecular Weight387.45 g/mol
Exact Mass387.21
IUPAC Name1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine
SMILESC/N=C(\NCCOCc1ccccc1OC)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C19H28F3N3O2/c1-23-18(25-16-9-7-15(8-10-16)19(20,21)22)24-11-12-27-13-14-5-3-4-6-17(14)26-2/h3-6,15-16H,7-13H2,1-2H3,(H2,23,24,25)
InChIKeyPXTIQQSOMHVMAU-UHFFFAOYSA-N
XLogP3.50
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.50
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

1-cyclohexyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109400680
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine
CID 109404887
1-(1-cyclohexylpiperidin-4-yl)-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine;hydroiodide
CID 109406243
1-tert-butyl-3-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methylguanidine
CID 109400727
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 109403499
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-pentylguanidine;hydroiodide
CID 109401108
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 109401963
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 109401435
1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 109401434
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 109402584
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 109403770

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine?
The IUPAC name of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine (CID 109404905) is 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine.
What is the SMILES notation for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine?
The canonical SMILES for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine is C/N=C(\NCCOCc1ccccc1OC)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine?
The InChIKey is PXTIQQSOMHVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3N3O2/c1-23-18(25-16-9-7-15(8-10-16)19(20,21)22)24-11-12-27-13-14-5-3-4-6-17(14)26-2/h3-6,15-16H,7-13H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine?
1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine has a molecular weight of 387.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methoxyphenyl)methoxy]ethyl]-2-methyl-3-[4-(trifluoromethyl)cyclohexyl]guanidine is sourced from PubChem (CID 109404905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).