Basic information
- CAS
748710-72-7- Standard SMILES
CCNCCC1(C)Oc2ccccc2O1- InChIKey
OUJHFXUYWRAWJD-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- N-ethyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
- IUPAC
- N-ethyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Names & synonyms
N-ethyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamineZH678ZBM96N-Ethyl-2-methyl-1,3-benzodioxole-2-ethanamine1,3-Benzodioxole-2-ethanamine, N-ethyl-2-methyl-748710-72-7
Database identifiers
- CAS
748710-72-7- PubChem CID
- 40346
- UNII
- ZH678ZBM96
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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