N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide

C16H22FN3O2 — CID 120762833

IUPACN'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
SMILESCOc1ccc(C2CC(/N=C(\N)N3CCOCC3)C2)cc1F
InChIInChI=1S/C16H22FN3O2/c1-21-15-3-2-11(10-14(15)17)12-8-13(9-12)19-16(18)20-4-6-22-7-5-20/h2-3,10,12-13H,4-9H2,1H3,(H2,18,19)
InChIKeyMFPCEQTZNFLXQI-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.73
Rot. Bonds3

About N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide

N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide (PubChem CID 120762833) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
PubChem CID120762833
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
SMILESCOc1ccc(C2CC(/N=C(\N)N3CCOCC3)C2)cc1F
InChIInChI=1S/C16H22FN3O2/c1-21-15-3-2-11(10-14(15)17)12-8-13(9-12)19-16(18)20-4-6-22-7-5-20/h2-3,10,12-13H,4-9H2,1H3,(H2,18,19)
InChIKeyMFPCEQTZNFLXQI-UHFFFAOYSA-N
XLogP1.73
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120762832
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 120762820
N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120679856
N'-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]morpholine-4-carboximidamide;hydroiodide
CID 120671720
1-tert-butyl-2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine;hydroiodide
CID 120762824
N'-[3-(2-fluorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120671570
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762834
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953
N'-[3-(3,5-difluorophenyl)cyclobutyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 120671744
N'-[2-(3-fluorophenyl)cyclopropyl]morpholine-4-carboximidamide;hydroiodide
CID 119120458
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813

Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide (CID 120762833) is N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide is COc1ccc(C2CC(/N=C(\N)N3CCOCC3)C2)cc1F.
What is the InChIKey of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide?
The InChIKey is MFPCEQTZNFLXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-21-15-3-2-11(10-14(15)17)12-8-13(9-12)19-16(18)20-4-6-22-7-5-20/h2-3,10,12-13H,4-9H2,1H3,(H2,18,19).
What are the key properties of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide?
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide has a molecular weight of 307.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120762833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).