1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine

C11H15NO3 — CID 28917569

IUPAC1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine
SMILESCC(C)(N)COc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-11(2,12)6-13-8-3-4-9-10(5-8)15-7-14-9/h3-5H,6-7,12H2,1-2H3
InChIKeyGMIYTJMBQNQQQO-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.53
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine

1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine (PubChem CID 28917569) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine
PubChem CID28917569
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine
SMILESCC(C)(N)COc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO3/c1-11(2,12)6-13-8-3-4-9-10(5-8)15-7-14-9/h3-5H,6-7,12H2,1-2H3
InChIKeyGMIYTJMBQNQQQO-UHFFFAOYSA-N
XLogP1.53
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-benzodioxol-5-yloxy)ethoxy]-2-methylpropan-2-amine
CID 82354144
1-(1,3-benzodioxol-5-yloxy)propan-2-amine
CID 21474843
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-methylbutan-2-amine
CID 82080454
4-(1,3-benzodioxol-5-yloxy)-2,2-dimethylbutanenitrile
CID 65256760
2-[2-[2-(1,3-benzodioxol-5-yloxy)ethoxy]ethoxy]ethanamine
CID 82353580
3-(1,3-benzodioxol-5-yloxymethyl)-2-methylaniline
CID 43509360
3-[2-(1,3-benzodioxol-5-yloxy)ethoxy]aniline
CID 39372047
(2R)-1-(1,3-benzodioxol-5-yloxy)butan-2-ol
CID 164702589
5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79775055
2-(1,3-benzodioxol-5-yloxy)-1-(4-methoxyphenyl)ethanamine
CID 43211655
3-(1,3-benzodioxol-5-yloxy)-2-methylpropanenitrile
CID 43174885

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine (CID 28917569) is 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine is CC(C)(N)COc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine?
The InChIKey is GMIYTJMBQNQQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,12)6-13-8-3-4-9-10(5-8)15-7-14-9/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine?
1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine has a molecular weight of 209.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yloxy)-2-methylpropan-2-amine is sourced from PubChem (CID 28917569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).