N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide

C16H21F2N3O — CID 120671753

IUPACN'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)CCO1
InChIInChI=1S/C16H21F2N3O/c1-10-9-21(2-3-22-10)16(19)20-15-6-12(7-15)11-4-13(17)8-14(18)5-11/h4-5,8,10,12,15H,2-3,6-7,9H2,1H3,(H2,19,20)
InChIKeyOMNXGXRASMJLFT-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.25
Rot. Bonds2

About N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide

N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120671753) has the molecular formula C16H21F2N3O and a molecular weight of 309.36 g/mol. Its IUPAC name is N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120671753
Molecular FormulaC16H21F2N3O
Molecular Weight309.36 g/mol
Exact Mass309.17
IUPAC NameN'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)CCO1
InChIInChI=1S/C16H21F2N3O/c1-10-9-21(2-3-22-10)16(19)20-15-6-12(7-15)11-4-13(17)8-14(18)5-11/h4-5,8,10,12,15H,2-3,6-7,9H2,1H3,(H2,19,20)
InChIKeyOMNXGXRASMJLFT-UHFFFAOYSA-N
XLogP2.25
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.25
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'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120671744
N'-[2-(3,5-difluorophenoxy)-2-methylpropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120973008
N'-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671238
2-methyl-N'-(2-methylcyclobutyl)morpholine-4-carboximidamide;hydroiodide
CID 120974006
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120663236
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[(1R,2S)-2-[4-(difluoromethoxy)phenyl]cyclopropyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663235
N'-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylmorpholine-4-carboximidamide
CID 120671174
2-methyl-N'-(2-oxabicyclo[4.2.0]octan-7-yl)morpholine-4-carboximidamide
CID 120662194
N'-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661827
N'-[3-(4-chlorophenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120663261
2-methyl-N'-[(3-methylcyclopentyl)methyl]morpholine-4-carboximidamide
CID 120663210

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide (CID 120671753) is N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/C2CC(c3cc(F)cc(F)c3)C2)CCO1.
What is the InChIKey of N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is OMNXGXRASMJLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3O/c1-10-9-21(2-3-22-10)16(19)20-15-6-12(7-15)11-4-13(17)8-14(18)5-11/h4-5,8,10,12,15H,2-3,6-7,9H2,1H3,(H2,19,20).
What are the key properties of N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide?
N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 309.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3,5-difluorophenyl)cyclobutyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120671753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).