2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

C12H17NO2 — CID 159903912

IUPAC2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
SMILESCc1ccc(C)c2c1OCC(CCN)O2
InChIInChI=1S/C12H17NO2/c1-8-3-4-9(2)12-11(8)14-7-10(15-12)5-6-13/h3-4,10H,5-7,13H2,1-2H3
InChIKeyMHJVCHQMHRKKLA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.79
Rot. Bonds2

About 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine

2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine (PubChem CID 159903912) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
PubChem CID159903912
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
SMILESCc1ccc(C)c2c1OCC(CCN)O2
InChIInChI=1S/C12H17NO2/c1-8-3-4-9(2)12-11(8)14-7-10(15-12)5-6-13/h3-4,10H,5-7,13H2,1-2H3
InChIKeyMHJVCHQMHRKKLA-UHFFFAOYSA-N
XLogP1.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The IUPAC name of 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine (CID 159903912) is 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine.
What is the SMILES notation for 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The canonical SMILES for 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine is Cc1ccc(C)c2c1OCC(CCN)O2.
What is the InChIKey of 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
The InChIKey is MHJVCHQMHRKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-3-4-9(2)12-11(8)14-7-10(15-12)5-6-13/h3-4,10H,5-7,13H2,1-2H3.
What are the key properties of 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine?
2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine has a molecular weight of 207.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,8-dimethyl-2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine is sourced from PubChem (CID 159903912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).