2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine

C15H23NO4 — CID 115943280

IUPAC2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine
SMILESCC(C)(C)OCCOc1cc2c(cc1CCN)OCO2
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-7-6-17-12-9-14-13(18-10-19-14)8-11(12)4-5-16/h8-9H,4-7,10,16H2,1-3H3
InChIKeyUVNVCRQQJPEDSI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.11
Rot. Bonds6

About 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine

2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine (PubChem CID 115943280) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine
PubChem CID115943280
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine
SMILESCC(C)(C)OCCOc1cc2c(cc1CCN)OCO2
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-7-6-17-12-9-14-13(18-10-19-14)8-11(12)4-5-16/h8-9H,4-7,10,16H2,1-3H3
InChIKeyUVNVCRQQJPEDSI-UHFFFAOYSA-N
XLogP2.11
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine?
The IUPAC name of 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine (CID 115943280) is 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine?
The canonical SMILES for 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine is CC(C)(C)OCCOc1cc2c(cc1CCN)OCO2.
What is the InChIKey of 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine?
The InChIKey is UVNVCRQQJPEDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-7-6-17-12-9-14-13(18-10-19-14)8-11(12)4-5-16/h8-9H,4-7,10,16H2,1-3H3.
What are the key properties of 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine?
2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine has a molecular weight of 281.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1,3-benzodioxol-5-yl]ethanamine is sourced from PubChem (CID 115943280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).