6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine

C14H17N3O2 — CID 114527225

IUPAC6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCn1ccnc1CCOc1ccc2c(c1)OCC2N
InChIInChI=1S/C14H17N3O2/c1-17-6-5-16-14(17)4-7-18-10-2-3-11-12(15)9-19-13(11)8-10/h2-3,5-6,8,12H,4,7,9,15H2,1H3
InChIKeyDGGLVYICUJFZKX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.43
Rot. Bonds4

About 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine

6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 114527225) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
PubChem CID114527225
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
SMILESCn1ccnc1CCOc1ccc2c(c1)OCC2N
InChIInChI=1S/C14H17N3O2/c1-17-6-5-16-14(17)4-7-18-10-2-3-11-12(15)9-19-13(11)8-10/h2-3,5-6,8,12H,4,7,9,15H2,1H3
InChIKeyDGGLVYICUJFZKX-UHFFFAOYSA-N
XLogP1.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(pyrimidin-2-ylmethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63097070
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
6-(3-methylsulfonylpropoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63190974
6-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 107911089
6-(2-propan-2-ylsulfonylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 106722241
N-methyl-6-[2-(1-methylimidazol-2-yl)ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114527195
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114527270
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
6-[2-(1-methylpyrazol-4-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-ol
CID 103749474
3-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 114530874
6-[(1-ethylimidazol-2-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094982
N-propyl-6-(2-pyrazol-1-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63096227

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine (CID 114527225) is 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine is Cn1ccnc1CCOc1ccc2c(c1)OCC2N.
What is the InChIKey of 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is DGGLVYICUJFZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17-6-5-16-14(17)4-7-18-10-2-3-11-12(15)9-19-13(11)8-10/h2-3,5-6,8,12H,4,7,9,15H2,1H3.
What are the key properties of 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine?
6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 259.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylimidazol-2-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 114527225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).