2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine

C13H19NO5 — CID 82353580

IUPAC2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C13H19NO5/c14-3-4-15-5-6-16-7-8-17-11-1-2-12-13(9-11)19-10-18-12/h1-2,9H,3-8,10,14H2
InChIKeyARBIALUNVFBHIM-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.79
Rot. Bonds9

About 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine

2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine (PubChem CID 82353580) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine
PubChem CID82353580
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C13H19NO5/c14-3-4-15-5-6-16-7-8-17-11-1-2-12-13(9-11)19-10-18-12/h1-2,9H,3-8,10,14H2
InChIKeyARBIALUNVFBHIM-UHFFFAOYSA-N
XLogP0.79
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.79
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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Related Compounds

1-[2-(1,3-benzodioxol-5-yloxy)ethoxy]-2-methylpropan-2-amine
CID 82354144
3-[2-(1,3-benzodioxol-5-yloxy)ethoxy]aniline
CID 39372047
5-but-3-enoxy-1,3-benzodioxole
CID 10511936
5-(1,3-benzodioxol-5-yloxy)pentyl 1,3-benzodioxole-5-carboxylate
CID 167442601
butyl 2-(1,3-benzodioxol-5-yloxy)acetate
CID 54941607
2-[2-(1,3-benzodioxol-5-ylsulfonyl)ethoxy]ethanamine
CID 94697951
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine
CID 28917569
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
3-[2-(1,3-benzodioxol-5-yloxy)ethyl]azetidine
CID 107391556
3-(1,3-benzodioxol-5-yloxy)propane-1-sulfonate
CID 20593635
1,3-benzodioxol-5-yl 3-(1,3-benzodioxol-5-yloxy)propanoate
CID 155681715

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine (CID 82353580) is 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine is NCCOCCOCCOc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine?
The InChIKey is ARBIALUNVFBHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c14-3-4-15-5-6-16-7-8-17-11-1-2-12-13(9-11)19-10-18-12/h1-2,9H,3-8,10,14H2.
What are the key properties of 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine?
2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine has a molecular weight of 269.30 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 82353580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).