(4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride

C10H14ClNO4 — CID 53444355

IUPAC(4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride
SMILESCOc1cc(CN)c(OC)c2c1OCO2.Cl
InChIInChI=1S/C10H13NO4.ClH/c1-12-7-3-6(4-11)8(13-2)10-9(7)14-5-15-10;/h3H,4-5,11H2,1-2H3;1H
InChIKeyZZJXLAPXGVSQFR-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.31
Rot. Bonds3

About (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride

(4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride (PubChem CID 53444355) has the molecular formula C10H14ClNO4 and a molecular weight of 247.68 g/mol. Its IUPAC name is (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride
PubChem CID53444355
Molecular FormulaC10H14ClNO4
Molecular Weight247.68 g/mol
Exact Mass247.06
IUPAC Name(4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride
SMILESCOc1cc(CN)c(OC)c2c1OCO2.Cl
InChIInChI=1S/C10H13NO4.ClH/c1-12-7-3-6(4-11)8(13-2)10-9(7)14-5-15-10;/h3H,4-5,11H2,1-2H3;1H
InChIKeyZZJXLAPXGVSQFR-UHFFFAOYSA-N
XLogP1.31
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
The IUPAC name of (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride (CID 53444355) is (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride.
What is the SMILES notation for (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
The canonical SMILES for (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride is COc1cc(CN)c(OC)c2c1OCO2.Cl.
What is the InChIKey of (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
The InChIKey is ZZJXLAPXGVSQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4.ClH/c1-12-7-3-6(4-11)8(13-2)10-9(7)14-5-15-10;/h3H,4-5,11H2,1-2H3;1H.
What are the key properties of (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride?
(4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride has a molecular weight of 247.68 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethoxy-1,3-benzodioxol-5-yl)methanamine;hydrochloride is sourced from PubChem (CID 53444355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).