2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride

C11H16ClNO — CID 44658129

IUPAC2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
SMILESC[NH+](C)CC1Cc2ccccc2O1.[Cl-]
InChIInChI=1S/C11H15NO.ClH/c1-12(2)8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10H,7-8H2,1-2H3;1H
InChIKeySXBDPWIGYMTSGE-UHFFFAOYSA-N
MW213.71 g/mol
LogP-2.86
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride

2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride (PubChem CID 44658129) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
PubChem CID44658129
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
SMILESC[NH+](C)CC1Cc2ccccc2O1.[Cl-]
InChIInChI=1S/C11H15NO.ClH/c1-12(2)8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10H,7-8H2,1-2H3;1H
InChIKeySXBDPWIGYMTSGE-UHFFFAOYSA-N
XLogP-2.86
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 5-2.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2,3-dihydro-1-benzofuran-2-ylmethyl(trimethyl)azanium
CID 3112651
2-(methylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 12872573
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl-ethylazanium
CID 7071467
2-[(E)-but-2-enyl]-2,3-dihydro-1-benzofuran
CID 102067628
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)cyclopropanamine
CID 43163825
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride (CID 44658129) is 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride is C[NH+](C)CC1Cc2ccccc2O1.[Cl-].
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride?
The InChIKey is SXBDPWIGYMTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-12(2)8-10-7-9-5-3-4-6-11(9)13-10;/h3-6,10H,7-8H2,1-2H3;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride?
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride has a molecular weight of 213.71 g/mol, XLogP of -2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride is sourced from PubChem (CID 44658129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).