1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine

C11H15NO2 — CID 1615

IUPAC1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeySHXWCVYOXRDMCX-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.57
Rot. Bonds3

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

1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine (PubChem CID 1615) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
PubChem CID1615
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3
InChIKeySHXWCVYOXRDMCX-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine (CID 1615) is 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine is CNC(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
The InChIKey is SHXWCVYOXRDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine?
1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine has a molecular weight of 193.25 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 1615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).