2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

C15H23NO4 — CID 103227814

IUPAC2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO4/c1-11(2)16-7-13(9-17-3)18-8-12-4-5-14-15(6-12)20-10-19-14/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyPBXVIMTVXQGLGY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.94
Rot. Bonds8

About 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine

2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103227814) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103227814
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)OCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO4/c1-11(2)16-7-13(9-17-3)18-8-12-4-5-14-15(6-12)20-10-19-14/h4-6,11,13,16H,7-10H2,1-3H3
InChIKeyPBXVIMTVXQGLGY-UHFFFAOYSA-N
XLogP1.94
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3,4-Mdpa
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MDE hydrochloride
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(-)-Methylenedioxymethamphetamine
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(+)-Methylenedioxymethamphetamine
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1-(Benzo[d][1,3]dioxol-5-ylmethoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol hydrochloride
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2-[[3-(1,3-Benzodioxol-5-ylmethoxy)-2-hydroxypropyl]amino]butan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103227814) is 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)OCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is PBXVIMTVXQGLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(2)16-7-13(9-17-3)18-8-12-4-5-14-15(6-12)20-10-19-14/h4-6,11,13,16H,7-10H2,1-3H3.
What are the key properties of 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine?
2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103227814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).