2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine

C15H21NO5 — CID 63556774

IUPAC2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cc2c(cc1OC1CCOC1)OCO2
InChIInChI=1S/C15H21NO5/c1-17-5-3-16-8-11-6-14-15(20-10-19-14)7-13(11)21-12-2-4-18-9-12/h6-7,12,16H,2-5,8-10H2,1H3
InChIKeyGOYNNVJZNBIMAO-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.32
Rot. Bonds7

About 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine

2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine (PubChem CID 63556774) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
PubChem CID63556774
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine
SMILESCOCCNCc1cc2c(cc1OC1CCOC1)OCO2
InChIInChI=1S/C15H21NO5/c1-17-5-3-16-8-11-6-14-15(20-10-19-14)7-13(11)21-12-2-4-18-9-12/h6-7,12,16H,2-5,8-10H2,1H3
InChIKeyGOYNNVJZNBIMAO-UHFFFAOYSA-N
XLogP1.32
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine (CID 63556774) is 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine is COCCNCc1cc2c(cc1OC1CCOC1)OCO2.
What is the InChIKey of 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine?
The InChIKey is GOYNNVJZNBIMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-17-5-3-16-8-11-6-14-15(20-10-19-14)7-13(11)21-12-2-4-18-9-12/h6-7,12,16H,2-5,8-10H2,1H3.
What are the key properties of 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine?
2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine has a molecular weight of 295.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-(oxolan-3-yloxy)-1,3-benzodioxol-5-yl]methyl]ethanamine is sourced from PubChem (CID 63556774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).