1-benzofuran-3-ylmethyl(triethyl)azanium

C15H22NO+ — CID 177385242

IUPAC1-benzofuran-3-ylmethyl(triethyl)azanium
SMILESCC[N+](CC)(CC)Cc1coc2ccccc12
InChIInChI=1S/C15H22NO/c1-4-16(5-2,6-3)11-13-12-17-15-10-8-7-9-14(13)15/h7-10,12H,4-6,11H2,1-3H3/q+1
InChIKeyZQQAMMXCOMOUNK-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.81
Rot. Bonds5

About 1-benzofuran-3-ylmethyl(triethyl)azanium

1-benzofuran-3-ylmethyl(triethyl)azanium (PubChem CID 177385242) has the molecular formula C15H22NO+ and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-benzofuran-3-ylmethyl(triethyl)azanium.

Molecular Properties

Compound Name1-benzofuran-3-ylmethyl(triethyl)azanium
PubChem CID177385242
Molecular FormulaC15H22NO+
Molecular Weight232.35 g/mol
Exact Mass232.17
IUPAC Name1-benzofuran-3-ylmethyl(triethyl)azanium
SMILESCC[N+](CC)(CC)Cc1coc2ccccc12
InChIInChI=1S/C15H22NO/c1-4-16(5-2,6-3)11-13-12-17-15-10-8-7-9-14(13)15/h7-10,12H,4-6,11H2,1-3H3/q+1
InChIKeyZQQAMMXCOMOUNK-UHFFFAOYSA-N
XLogP3.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

S-ethyl 2-(1-benzofuran-3-yl)ethanethioate
CID 91620594
1-(1-benzofuran-3-yl)butan-2-amine
CID 80702281
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
3-(diethoxyphosphorylsulfanylmethyl)-1-benzofuran
CID 102263185
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
3-(naphthalen-1-ylmethyl)-1-benzofuran
CID 132539369
4-(1-benzofuran-3-yl)-N-ethylbutan-2-amine
CID 80703561
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-ylmethyl(triethyl)azanium?
The IUPAC name of 1-benzofuran-3-ylmethyl(triethyl)azanium (CID 177385242) is 1-benzofuran-3-ylmethyl(triethyl)azanium.
What is the SMILES notation for 1-benzofuran-3-ylmethyl(triethyl)azanium?
The canonical SMILES for 1-benzofuran-3-ylmethyl(triethyl)azanium is CC[N+](CC)(CC)Cc1coc2ccccc12.
What is the InChIKey of 1-benzofuran-3-ylmethyl(triethyl)azanium?
The InChIKey is ZQQAMMXCOMOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO/c1-4-16(5-2,6-3)11-13-12-17-15-10-8-7-9-14(13)15/h7-10,12H,4-6,11H2,1-3H3/q+1.
What are the key properties of 1-benzofuran-3-ylmethyl(triethyl)azanium?
1-benzofuran-3-ylmethyl(triethyl)azanium has a molecular weight of 232.35 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-ylmethyl(triethyl)azanium is sourced from PubChem (CID 177385242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).