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

C15H23FN4O — CID 111029314

IUPACN'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H23FN4O/c1-19(2)14(12-4-3-5-13(16)10-12)11-18-15(17)20-6-8-21-9-7-20/h3-5,10,14H,6-9,11H2,1-2H3,(H2,17,18)
InChIKeySFTLITDUVTUVDZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.08
Rot. Bonds4

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

N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide (PubChem CID 111029314) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
PubChem CID111029314
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC NameN'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide
SMILESCN(C)C(C/N=C(\N)N1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C15H23FN4O/c1-19(2)14(12-4-3-5-13(16)10-12)11-18-15(17)20-6-8-21-9-7-20/h3-5,10,14H,6-9,11H2,1-2H3,(H2,17,18)
InChIKeySFTLITDUVTUVDZ-UHFFFAOYSA-N
XLogP1.08
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.08
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'}

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Related Compounds

N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111029389
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110919741
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
N'-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 111037502
N'-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]morpholine-4-carboximidamide
CID 124536276
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]piperidine-1-carboximidamide
CID 111056561
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
ethyl 4-[[N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111029355
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111056533
(3R)-N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551390
1-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313373
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726254

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide (CID 111029314) is N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide is CN(C)C(C/N=C(\N)N1CCOCC1)c1cccc(F)c1.
What is the InChIKey of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide?
The InChIKey is SFTLITDUVTUVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-19(2)14(12-4-3-5-13(16)10-12)11-18-15(17)20-6-8-21-9-7-20/h3-5,10,14H,6-9,11H2,1-2H3,(H2,17,18).
What are the key properties of N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide?
N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide has a molecular weight of 294.37 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111029314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).