1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine

C11H15NO3 — CID 26175

IUPAC1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCOc1cc(CC(C)N)cc2c1OCO2
InChIInChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKeyYQYUWUKDEVZFDB-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.31
Rot. Bonds3

About 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine

1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine (PubChem CID 26175) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
PubChem CID26175
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine
SMILESCOc1cc(CC(C)N)cc2c1OCO2
InChIInChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKeyYQYUWUKDEVZFDB-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine?
The IUPAC name of 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine (CID 26175) is 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine?
The canonical SMILES for 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine is COc1cc(CC(C)N)cc2c1OCO2.
What is the InChIKey of 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine?
The InChIKey is YQYUWUKDEVZFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine?
1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine has a molecular weight of 209.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-amine is sourced from PubChem (CID 26175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).