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

C12H17NO3 — CID 90785358

IUPAC1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(C)C(OC)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H17NO3/c1-8(13-2)12(14-3)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12-13H,7H2,1-3H3
InChIKeyUZEKPFSPJVXXFV-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.71
Rot. Bonds4

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

1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine (PubChem CID 90785358) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine
PubChem CID90785358
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine
SMILESCNC(C)C(OC)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H17NO3/c1-8(13-2)12(14-3)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12-13H,7H2,1-3H3
InChIKeyUZEKPFSPJVXXFV-UHFFFAOYSA-N
XLogP1.71
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine (CID 90785358) is 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine is CNC(C)C(OC)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine?
The InChIKey is UZEKPFSPJVXXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8(13-2)12(14-3)9-4-5-10-11(6-9)16-7-15-10/h4-6,8,12-13H,7H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine?
1-(1,3-benzodioxol-5-yl)-1-methoxy-N-methylpropan-2-amine has a molecular weight of 223.27 g/mol, XLogP of 1.71, 4 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-yl)-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 90785358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).