N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide

C15H20FN3O — CID 120671570

IUPACN'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
SMILESN/C(=N\C1CC(c2ccccc2F)C1)N1CCOCC1
InChIInChI=1S/C15H20FN3O/c16-14-4-2-1-3-13(14)11-9-12(10-11)18-15(17)19-5-7-20-8-6-19/h1-4,11-12H,5-10H2,(H2,17,18)
InChIKeyBUEWHGSUWGSSOG-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.72
Rot. Bonds2

About N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide

N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide (PubChem CID 120671570) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
PubChem CID120671570
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
SMILESN/C(=N\C1CC(c2ccccc2F)C1)N1CCOCC1
InChIInChI=1S/C15H20FN3O/c16-14-4-2-1-3-13(14)11-9-12(10-11)18-15(17)19-5-7-20-8-6-19/h1-4,11-12H,5-10H2,(H2,17,18)
InChIKeyBUEWHGSUWGSSOG-UHFFFAOYSA-N
XLogP1.72
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N'-[2-(2-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide
CID 111101017
N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120663261
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120762833
N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120671720
N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120679856
1-cyclopropyl-2-[3-(2-fluorophenyl)cyclobutyl]-1-methylguanidine
CID 120671550
N'-[2-(2-fluorophenyl)cyclopropyl]thiomorpholine-4-carboximidamide
CID 111101079
4-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)cyclopropyl]piperazine-1-carboximidamide
CID 111101089
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
N'-[(1R,2S,3S)-2-methyl-3-phenylcyclobutyl]morpholine-4-carboximidamide
CID 99849055
N'-[2-(2-fluorophenyl)sulfonylethyl]morpholine-4-carboximidamide
CID 111813018

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide (CID 120671570) is N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide is N/C(=N\C1CC(c2ccccc2F)C1)N1CCOCC1.
What is the InChIKey of N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide?
The InChIKey is BUEWHGSUWGSSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-14-4-2-1-3-13(14)11-9-12(10-11)18-15(17)19-5-7-20-8-6-19/h1-4,11-12H,5-10H2,(H2,17,18).
What are the key properties of N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide?
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide has a molecular weight of 277.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120671570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).