3,4-Methylenedioxyphenylisobutylamine
4-(1,3-benzodioxol-5-yl)butan-2-amine
Also Known As: HMDA|4-(2H-1,3-benzodioxol-5-yl)butan-2-amine|4-(1,3-benzodioxol-5-yl)butan-2-amine|3,4-Methylenedioxyphenylisobutylamine|4-(1,3-dioxaindan-5-yl)butan-2-amine|?-Methyl-1,3-benzodioxole-5-propanamine|5-(3-Aminobutyl)-1,3-benzodioxole|1,3-Benzodioxole-5-propanamine, alpha-methyl-|A-methyl-1,3-benzodioxole-5-propanamine|4-(Benzo[d][1,3]dioxol-5-yl)butan-2-amine|3-(1,3-benzodioxol-5-yl)-1-methylpropylamine|alpha-Methyl-1,3-benzodioxole-5-propanamine|J1.232.628I|1-[3,4-(Methylenedioxy)phenyl]-3-butanamine|3-(3,4-methylenedioxyphenyl)-1-methylpropylamine|alpha-Methyl-1,3-benzodioxole-5-(1-propaneamine)
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11028 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Monoisotopic Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 5346-79-2 |
|---|---|
| SMILES | CC(CCC1=CC2=C(C=C1)OCO2)N |
| InChIKey | LWUIKWNECJUNDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Methylenedioxyphenylisobutylamine (CAS 5346-79-2), with molecular formula C11H15NO2 and molecular weight 193.11028 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)butan-2-amine.