N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide

C12H15F2N3O — CID 111800968

IUPACN'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C12H15F2N3O/c13-10-1-2-11(14)9(7-10)8-16-12(15)17-3-5-18-6-4-17/h1-2,7H,3-6,8H2,(H2,15,16)
InChIKeyXCIXLRLCVHATLT-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.11
Rot. Bonds2

About N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide

N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide (PubChem CID 111800968) has the molecular formula C12H15F2N3O and a molecular weight of 255.27 g/mol. Its IUPAC name is N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
PubChem CID111800968
Molecular FormulaC12H15F2N3O
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C12H15F2N3O/c13-10-1-2-11(14)9(7-10)8-16-12(15)17-3-5-18-6-4-17/h1-2,7H,3-6,8H2,(H2,15,16)
InChIKeyXCIXLRLCVHATLT-UHFFFAOYSA-N
XLogP1.11
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.11
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'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(5-cyclopropyl-2-fluorophenyl)methyl]azetidine-1-carboximidamide
CID 122097017
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[(2,5-dichlorothiophen-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 86781929
N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide
CID 63792797
N'-[[4-(4-fluorophenoxy)-2-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 119147247
N'-[(4-bromo-2-morpholin-4-ylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119934022
N'-[[4-(dimethylamino)-2-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111815028
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
N'-[[2-(dimethylamino)-4-methylphenyl]methyl]morpholine-4-carboximidamide
CID 111975223

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide (CID 111800968) is N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide is N/C(=N\Cc1cc(F)ccc1F)N1CCOCC1.
What is the InChIKey of N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide?
The InChIKey is XCIXLRLCVHATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O/c13-10-1-2-11(14)9(7-10)8-16-12(15)17-3-5-18-6-4-17/h1-2,7H,3-6,8H2,(H2,15,16).
What are the key properties of N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide?
N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide has a molecular weight of 255.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111800968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).