N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide

C14H19N3O2 — CID 111062908

IUPACN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide
SMILESN/C(=N\CC1Cc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C14H19N3O2/c15-14(17-5-7-18-8-6-17)16-10-12-9-11-3-1-2-4-13(11)19-12/h1-4,12H,5-10H2,(H2,15,16)
InChIKeyUFLAEPWNUCWSNN-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.64
Rot. Bonds2

About N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide (PubChem CID 111062908) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide
PubChem CID111062908
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide
SMILESN/C(=N\CC1Cc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C14H19N3O2/c15-14(17-5-7-18-8-6-17)16-10-12-9-11-3-1-2-4-13(11)19-12/h1-4,12H,5-10H2,(H2,15,16)
InChIKeyUFLAEPWNUCWSNN-UHFFFAOYSA-N
XLogP0.64
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.64
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'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111062967
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
CID 63176117
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide
CID 55158622
N'-[(2-methyl-1,3-dihydroinden-2-yl)methyl]morpholine-4-carboximidamide
CID 75515058
ethyl 4-[N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylcarbamimidoyl]piperazine-1-carboxylate
CID 111163943
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
N'-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111075066
N'-[2-(2,3-dihydroindol-1-yl)propyl]morpholine-4-carboximidamide
CID 111067772
N'-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111055482
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205574
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
CID 66364753
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide (CID 111062908) is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide is N/C(=N\CC1Cc2ccccc2O1)N1CCOCC1.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide?
The InChIKey is UFLAEPWNUCWSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-14(17-5-7-18-8-6-17)16-10-12-9-11-3-1-2-4-13(11)19-12/h1-4,12H,5-10H2,(H2,15,16).
What are the key properties of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide?
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide has a molecular weight of 261.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111062908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).