N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide

C15H24FIN4O — CID 111752497

IUPACN'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(CC/N=C(\N)N1CCOCC1)Cc1ccc(F)cc1.I
InChIInChI=1S/C15H23FN4O.HI/c1-19(12-13-2-4-14(16)5-3-13)7-6-18-15(17)20-8-10-21-11-9-20;/h2-5H,6-12H2,1H3,(H2,17,18);1H
InChIKeyLDKRPUILHPWWLB-UHFFFAOYSA-N
MW422.29 g/mol
LogP1.52
Rot. Bonds5

About N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide

N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 111752497) has the molecular formula C15H24FIN4O and a molecular weight of 422.29 g/mol. Its IUPAC name is N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID111752497
Molecular FormulaC15H24FIN4O
Molecular Weight422.29 g/mol
Exact Mass422.10
IUPAC NameN'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide
SMILESCN(CC/N=C(\N)N1CCOCC1)Cc1ccc(F)cc1.I
InChIInChI=1S/C15H23FN4O.HI/c1-19(12-13-2-4-14(16)5-3-13)7-6-18-15(17)20-8-10-21-11-9-20;/h2-5H,6-12H2,1H3,(H2,17,18);1H
InChIKeyLDKRPUILHPWWLB-UHFFFAOYSA-N
XLogP1.52
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.29
LogP ≤ 51.52
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'-[2-[ethyl(methyl)amino]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111085730
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111091935
N-[2-[[amino(morpholin-4-yl)methylidene]amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 111091936
N'-[2-[butyl(methyl)amino]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111802329
N'-[3-(4-fluorophenyl)sulfanylpropyl]morpholine-4-carboximidamide;hydroiodide
CID 111027849
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[2-[4-(dimethylamino)phenyl]ethyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111089178
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111025570
N'-[2-[cyclohexyl(methyl)amino]ethyl]morpholine-4-carboximidamide
CID 111057268
tert-butyl 4-[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111078745

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide (CID 111752497) is N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide is CN(CC/N=C(\N)N1CCOCC1)Cc1ccc(F)cc1.I.
What is the InChIKey of N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is LDKRPUILHPWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O.HI/c1-19(12-13-2-4-14(16)5-3-13)7-6-18-15(17)20-8-10-21-11-9-20;/h2-5H,6-12H2,1H3,(H2,17,18);1H.
What are the key properties of N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide?
N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 422.29 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 111752497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).