1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine

C16H26FN3O2 — CID 111968011

IUPAC1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(CC)Oc1ccccc1F)NCCOC
InChIInChI=1S/C16H26FN3O2/c1-4-13(22-15-9-7-6-8-14(15)17)12-20-16(18-5-2)19-10-11-21-3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,18,19,20)
InChIKeyPNQBFGJQRRFIEX-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.18
Rot. Bonds9

About 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine

1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine (PubChem CID 111968011) has the molecular formula C16H26FN3O2 and a molecular weight of 311.40 g/mol. Its IUPAC name is 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
PubChem CID111968011
Molecular FormulaC16H26FN3O2
Molecular Weight311.40 g/mol
Exact Mass311.20
IUPAC Name1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(CC)Oc1ccccc1F)NCCOC
InChIInChI=1S/C16H26FN3O2/c1-4-13(22-15-9-7-6-8-14(15)17)12-20-16(18-5-2)19-10-11-21-3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,18,19,20)
InChIKeyPNQBFGJQRRFIEX-UHFFFAOYSA-N
XLogP2.18
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.18
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-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
CID 111560738
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 109475869
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethyl-2-[2-(2-fluorophenoxy)butyl]guanidine
CID 109395900
2-[2-(2-chlorophenoxy)butyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111969163
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111968401
2-[[ethylamino-[2-(2-fluorophenoxy)propylamino]methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111684646
2-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 111790051
2-[2-(2-chlorophenoxy)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 111491536
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 109475755
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111985911
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111969035
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine (CID 111968011) is 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine is CCN/C(=N\CC(CC)Oc1ccccc1F)NCCOC.
What is the InChIKey of 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is PNQBFGJQRRFIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O2/c1-4-13(22-15-9-7-6-8-14(15)17)12-20-16(18-5-2)19-10-11-21-3/h6-9,13H,4-5,10-12H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine?
1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 311.40 g/mol, XLogP of 2.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(2-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111968011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).