N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide

C16H16N2O — CID 63176117

IUPACN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\CC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-16(12-6-2-1-3-7-12)18-11-14-10-13-8-4-5-9-15(13)19-14/h1-9,14H,10-11H2,(H2,17,18)
InChIKeyMIKRPDKGQCVKHQ-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.40
Rot. Bonds3

About N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide

N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide (PubChem CID 63176117) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
PubChem CID63176117
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide
SMILESN/C(=N\CC1Cc2ccccc2O1)c1ccccc1
InChIInChI=1S/C16H16N2O/c17-16(12-6-2-1-3-7-12)18-11-14-10-13-8-4-5-9-15(13)19-14/h1-9,14H,10-11H2,(H2,17,18)
InChIKeyMIKRPDKGQCVKHQ-UHFFFAOYSA-N
XLogP2.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.40
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'-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopentanecarboximidamide
CID 55158622
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)morpholine-4-carboximidamide
CID 111062908
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
2-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)guanidine
CID 111062950
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclohexan-1-amine
CID 66363798
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]-2-methylpropanimidamide
CID 66364753
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111062967
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 111950515
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
3-(2,3-dihydro-1-benzofuran-2-yl)prop-1-en-1-amine
CID 70406652
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide (CID 63176117) is N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide is N/C(=N\CC1Cc2ccccc2O1)c1ccccc1.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide?
The InChIKey is MIKRPDKGQCVKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-16(12-6-2-1-3-7-12)18-11-14-10-13-8-4-5-9-15(13)19-14/h1-9,14H,10-11H2,(H2,17,18).
What are the key properties of N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide?
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide has a molecular weight of 252.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 63176117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).