[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium

C11H16NO+ — CID 7071467

IUPAC[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
SMILESCC[NH2+]C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C11H15NO/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-6,10,12H,2,7-8H2,1H3/p+1/t10-/m1/s1
InChIKeyARWUGHLZFYRZDM-SNVBAGLBSA-O
MW178.26 g/mol
LogP0.57
Rot. Bonds3

About [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium

[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium (PubChem CID 7071467) has the molecular formula C11H16NO+ and a molecular weight of 178.26 g/mol. Its IUPAC name is [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium.

Molecular Properties

Compound Name[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
PubChem CID7071467
Molecular FormulaC11H16NO+
Molecular Weight178.26 g/mol
Exact Mass178.12
IUPAC Name[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
SMILESCC[NH2+]C[C@H]1Cc2ccccc2O1
InChIInChI=1S/C11H15NO/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-6,10,12H,2,7-8H2,1H3/p+1/t10-/m1/s1
InChIKeyARWUGHLZFYRZDM-SNVBAGLBSA-O
XLogP0.57
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium?
The IUPAC name of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium (CID 7071467) is [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium.
What is the SMILES notation for [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium?
The canonical SMILES for [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium is CC[NH2+]C[C@H]1Cc2ccccc2O1.
What is the InChIKey of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium?
The InChIKey is ARWUGHLZFYRZDM-SNVBAGLBSA-O. The full InChI is InChI=1S/C11H15NO/c1-2-12-8-10-7-9-5-3-4-6-11(9)13-10/h3-6,10,12H,2,7-8H2,1H3/p+1/t10-/m1/s1.
What are the key properties of [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium?
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium has a molecular weight of 178.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium is sourced from PubChem (CID 7071467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).