7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine

C11H15NO2 — CID 2868470

IUPAC7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C11H15NO2/c1-2-3-8-6-10-11(7-9(8)12)14-5-4-13-10/h6-7H,2-5,12H2,1H3
InChIKeyLCZNMDIFOWWQOZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.99
Rot. Bonds2

About 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine

7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 2868470) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound Name7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID2868470
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESCCCc1cc2c(cc1N)OCCO2
InChIInChI=1S/C11H15NO2/c1-2-3-8-6-10-11(7-9(8)12)14-5-4-13-10/h6-7H,2-5,12H2,1H3
InChIKeyLCZNMDIFOWWQOZ-UHFFFAOYSA-N
XLogP1.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine (CID 2868470) is 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine is CCCc1cc2c(cc1N)OCCO2.
What is the InChIKey of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is LCZNMDIFOWWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-8-6-10-11(7-9(8)12)14-5-4-13-10/h6-7H,2-5,12H2,1H3.
What are the key properties of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine?
7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 193.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 2868470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).