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

C11H16ClNO2 — CID 2868469

IUPAC7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride
SMILESCCCc1cc2c(cc1N)OCCO2.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-3-8-6-10-11(7-9(8)12)14-5-4-13-10;/h6-7H,2-5,12H2,1H3;1H
InChIKeyMGHYBVDOPNTLFZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.41
Rot. Bonds2

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

7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride (PubChem CID 2868469) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride.

Molecular Properties

Compound Name7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride
PubChem CID2868469
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride
SMILESCCCc1cc2c(cc1N)OCCO2.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-3-8-6-10-11(7-9(8)12)14-5-4-13-10;/h6-7H,2-5,12H2,1H3;1H
InChIKeyMGHYBVDOPNTLFZ-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.41
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;hydrochloride?
The IUPAC name of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride (CID 2868469) is 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride.
What is the SMILES notation for 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride?
The canonical SMILES for 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride is CCCc1cc2c(cc1N)OCCO2.Cl.
What is the InChIKey of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride?
The InChIKey is MGHYBVDOPNTLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-3-8-6-10-11(7-9(8)12)14-5-4-13-10;/h6-7H,2-5,12H2,1H3;1H.
What are the key properties of 7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride?
7-propyl-2,3-dihydro-1,4-benzodioxin-6-amine;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.41, 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;hydrochloride is sourced from PubChem (CID 2868469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).