N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide

C16H19N3O2 — CID 119119031

IUPACN'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccc(-c2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C16H19N3O2/c17-16(19-8-10-20-11-9-19)18-12-14-6-7-15(21-14)13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,17,18)
InChIKeyJHHCENOMPCAESM-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds3

About N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide

N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide (PubChem CID 119119031) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide
PubChem CID119119031
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccc(-c2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C16H19N3O2/c17-16(19-8-10-20-11-9-19)18-12-14-6-7-15(21-14)13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,17,18)
InChIKeyJHHCENOMPCAESM-UHFFFAOYSA-N
XLogP2.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
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'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119146669
ethyl 5-[[[amino(morpholin-4-yl)methylidene]amino]methyl]furan-2-carboxylate
CID 111859583
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]methyl]morpholine-4-carboximidamide
CID 54302665
N'-(2-phenylsulfanylethyl)morpholine-4-carboximidamide
CID 111033052
N'-(2-phenoxypropyl)morpholine-4-carboximidamide
CID 111801506
N'-(2,3-diphenylpropyl)morpholine-4-carboximidamide
CID 111799880
N'-[[2-(azepan-1-ylmethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111802643

Frequently Asked Questions

What is the IUPAC name of N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide (CID 119119031) is N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide is N/C(=N\Cc1ccc(-c2ccccc2)o1)N1CCOCC1.
What is the InChIKey of N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is JHHCENOMPCAESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-16(19-8-10-20-11-9-19)18-12-14-6-7-15(21-14)13-4-2-1-3-5-13/h1-7H,8-12H2,(H2,17,18).
What are the key properties of N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide?
N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 119119031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).