2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine

C19H25FN4OS — CID 111085609

IUPAC2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)NCCc1cccs1
InChIInChI=1S/C19H25FN4OS/c20-16-4-1-3-15(13-16)18(24-8-10-25-11-9-24)14-23-19(21)22-7-6-17-5-2-12-26-17/h1-5,12-13,18H,6-11,14H2,(H3,21,22,23)
InChIKeyLZDUSDVZWJSHPH-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.41
Rot. Bonds7

About 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine (PubChem CID 111085609) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
PubChem CID111085609
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
SMILESN/C(=N\CC(c1cccc(F)c1)N1CCOCC1)NCCc1cccs1
InChIInChI=1S/C19H25FN4OS/c20-16-4-1-3-15(13-16)18(24-8-10-25-11-9-24)14-23-19(21)22-7-6-17-5-2-12-26-17/h1-5,12-13,18H,6-11,14H2,(H3,21,22,23)
InChIKeyLZDUSDVZWJSHPH-UHFFFAOYSA-N
XLogP2.41
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111054825
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110916922
2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111037591
2-(4-methyl-2-morpholin-4-ylpentyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111041502
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-phenylethyl)guanidine;hydroiodide
CID 111098630
2-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111080955
1-hexyl-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054817
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 47081662
2-[2-(3-fluorophenoxy)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111970244

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine (CID 111085609) is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine is N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)NCCc1cccs1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is LZDUSDVZWJSHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c20-16-4-1-3-15(13-16)18(24-8-10-25-11-9-24)14-23-19(21)22-7-6-17-5-2-12-26-17/h1-5,12-13,18H,6-11,14H2,(H3,21,22,23).
What are the key properties of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine?
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 376.50 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111085609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).