1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine

C20H26FN3O3 — CID 111713852

IUPAC1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1ccc(OC)cc1)NCC(OC)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3/c1-22-20(23-12-13-27-18-10-8-17(25-2)9-11-18)24-14-19(26-3)15-4-6-16(21)7-5-15/h4-11,19H,12-14H2,1-3H3,(H2,22,23,24)
InChIKeyFGYRXRQBSZFXOK-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.77
Rot. Bonds9

About 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine

1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine (PubChem CID 111713852) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
PubChem CID111713852
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1ccc(OC)cc1)NCC(OC)c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O3/c1-22-20(23-12-13-27-18-10-8-17(25-2)9-11-18)24-14-19(26-3)15-4-6-16(21)7-5-15/h4-11,19H,12-14H2,1-3H3,(H2,22,23,24)
InChIKeyFGYRXRQBSZFXOK-UHFFFAOYSA-N
XLogP2.77
TPSA64.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methyl-3-propylguanidine
CID 111714028
1-[2-(2-fluorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylguanidine
CID 111713948
1-[4-(4-fluorophenoxy)butyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110975159
1-[(3-fluoro-4-methylphenyl)methyl]-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylguanidine
CID 111713848
1-[2-(2,4-difluorophenyl)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111787442
1-(2-ethoxyethyl)-3-[3-(4-fluorophenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111896666
1-[2-(3-fluorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylguanidine;hydroiodide
CID 111713853
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778938
1-(3-ethoxypropyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111222989
1-butyl-3-[3-(4-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150409
1-[3-(dimethylamino)propyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111410081
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111229197

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine (CID 111713852) is 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine is C/N=C(\NCCOc1ccc(OC)cc1)NCC(OC)c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
The InChIKey is FGYRXRQBSZFXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-22-20(23-12-13-27-18-10-8-17(25-2)9-11-18)24-14-19(26-3)15-4-6-16(21)7-5-15/h4-11,19H,12-14H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine?
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine has a molecular weight of 375.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine is sourced from PubChem (CID 111713852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).