1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

C10H13NO2 — CID 3146111

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3
InChIKeyABUSRLBOAUOYSM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.48
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (PubChem CID 3146111) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
PubChem CID3146111
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
SMILESCC(N)c1ccc2c(c1)OCCO2
InChIInChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3
InChIKeyABUSRLBOAUOYSM-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine (CID 3146111) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is CC(N)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
The InChIKey is ABUSRLBOAUOYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine has a molecular weight of 179.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine is sourced from PubChem (CID 3146111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).