N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

C17H23NO2 — CID 79368554

IUPACN-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-11-13-8-9-19-16(13)15-10-12-6-4-5-7-14(12)20-15/h4-7,10,13,16,18H,8-9,11H2,1-3H3
InChIKeyYEQMEZOMBKDCQX-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.90
Rot. Bonds3

About N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 79368554) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID79368554
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCOC1c1cc2ccccc2o1
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-11-13-8-9-19-16(13)15-10-12-6-4-5-7-14(12)20-15/h4-7,10,13,16,18H,8-9,11H2,1-3H3
InChIKeyYEQMEZOMBKDCQX-UHFFFAOYSA-N
XLogP3.90
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine (CID 79368554) is N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCOC1c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YEQMEZOMBKDCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)18-11-13-8-9-19-16(13)15-10-12-6-4-5-7-14(12)20-15/h4-7,10,13,16,18H,8-9,11H2,1-3H3.
What are the key properties of N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-2-yl)oxolan-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79368554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).