2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C17H25NO2 — CID 114623443

IUPAC2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2Cc3ccccc3O2)C(C)(C)O1
InChIInChI=1S/C17H25NO2/c1-16(2)10-12(17(3,4)20-16)15(18)14-9-11-7-5-6-8-13(11)19-14/h5-8,12,14-15H,9-10,18H2,1-4H3
InChIKeyKHZLPAYQQMRAPT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.91
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 114623443) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID114623443
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)C2Cc3ccccc3O2)C(C)(C)O1
InChIInChI=1S/C17H25NO2/c1-16(2)10-12(17(3,4)20-16)15(18)14-9-11-7-5-6-8-13(11)19-14/h5-8,12,14-15H,9-10,18H2,1-4H3
InChIKeyKHZLPAYQQMRAPT-UHFFFAOYSA-N
XLogP2.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 114623443) is 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)C2Cc3ccccc3O2)C(C)(C)O1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is KHZLPAYQQMRAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)10-12(17(3,4)20-16)15(18)14-9-11-7-5-6-8-13(11)19-14/h5-8,12,14-15H,9-10,18H2,1-4H3.
What are the key properties of 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 114623443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).