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

C16H23FIN3O2 — CID 120762832

IUPACN'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccc(C2CC(/N=C(\N)N3CCOCC3)C2)cc1F.I
InChIInChI=1S/C16H22FN3O2.HI/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);1H
InChIKeyPOSZXPVWHHHVBA-UHFFFAOYSA-N
MW435.28 g/mol
LogP2.35
Rot. Bonds3

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

N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 120762832) has the molecular formula C16H23FIN3O2 and a molecular weight of 435.28 g/mol. Its IUPAC name is N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID120762832
Molecular FormulaC16H23FIN3O2
Molecular Weight435.28 g/mol
Exact Mass435.08
IUPAC NameN'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide
SMILESCOc1ccc(C2CC(/N=C(\N)N3CCOCC3)C2)cc1F.I
InChIInChI=1S/C16H22FN3O2.HI/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);1H
InChIKeyPOSZXPVWHHHVBA-UHFFFAOYSA-N
XLogP2.35
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.28
LogP ≤ 52.35
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120762833
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;hydroiodide?
The IUPAC name of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide (CID 120762832) is N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide is COc1ccc(C2CC(/N=C(\N)N3CCOCC3)C2)cc1F.I.
What is the InChIKey of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is POSZXPVWHHHVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2.HI/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);1H.
What are the key properties of N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide?
N'-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 435.28 g/mol, XLogP of 2.35, 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;hydroiodide is sourced from PubChem (CID 120762832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).