8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride

C12H14ClNO2 — CID 13340014

IUPAC8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride
SMILESCl.NCC1=CCCc2c1ccc1c2OCO1
InChIInChI=1S/C12H13NO2.ClH/c13-6-8-2-1-3-10-9(8)4-5-11-12(10)15-7-14-11;/h2,4-5H,1,3,6-7,13H2;1H
InChIKeyLQVLPSMCPAAKKJ-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.13
Rot. Bonds1

About 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride

8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride (PubChem CID 13340014) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride
PubChem CID13340014
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride
SMILESCl.NCC1=CCCc2c1ccc1c2OCO1
InChIInChI=1S/C12H13NO2.ClH/c13-6-8-2-1-3-10-9(8)4-5-11-12(10)15-7-14-11;/h2,4-5H,1,3,6-7,13H2;1H
InChIKeyLQVLPSMCPAAKKJ-UHFFFAOYSA-N
XLogP2.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride?
The IUPAC name of 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride (CID 13340014) is 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride.
What is the SMILES notation for 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride?
The canonical SMILES for 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride is Cl.NCC1=CCCc2c1ccc1c2OCO1.
What is the InChIKey of 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride?
The InChIKey is LQVLPSMCPAAKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.ClH/c13-6-8-2-1-3-10-9(8)4-5-11-12(10)15-7-14-11;/h2,4-5H,1,3,6-7,13H2;1H.
What are the key properties of 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride?
8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydrobenzo[g][1,3]benzodioxol-6-ylmethanamine;hydrochloride is sourced from PubChem (CID 13340014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).