1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride

C11H15Cl2NO2 — CID 132988793

IUPAC1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cc2c(cc1Cl)OCO2.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10;/h4-5,7,13H,3,6H2,1-2H3;1H
InChIKeyVJFRVHHZEQDFIB-UHFFFAOYSA-N
MW264.15 g/mol
LogP2.64
Rot. Bonds3

About 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride

1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 132988793) has the molecular formula C11H15Cl2NO2 and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride
PubChem CID132988793
Molecular FormulaC11H15Cl2NO2
Molecular Weight264.15 g/mol
Exact Mass263.05
IUPAC Name1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1cc2c(cc1Cl)OCO2.Cl
InChIInChI=1S/C11H14ClNO2.ClH/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10;/h4-5,7,13H,3,6H2,1-2H3;1H
InChIKeyVJFRVHHZEQDFIB-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride (CID 132988793) is 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1cc2c(cc1Cl)OCO2.Cl.
What is the InChIKey of 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is VJFRVHHZEQDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2.ClH/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10;/h4-5,7,13H,3,6H2,1-2H3;1H.
What are the key properties of 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride?
1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 264.15 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,3-benzodioxol-5-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 132988793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).