Basic information
- CAS
56208-13-0- Standard SMILES
CCN(CC)CCCNC(Cc1ccccc1)c1ccc2c(c1)OCO2- InChIKey
JLLNQICXHRKWQP-UHFFFAOYSA-N- Molecular formula
- C22H30N2O2
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.2307282
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-(1,3-benzodioxol-5-yl)-2-phenylethyl-N,N-diethyl-
- IUPAC
- N-[1-(1,3-benzodioxol-5-yl)-2-phenylethyl]-N',N'-diethylpropane-1,3-diamine
Names & synonyms
N-Diethylaminopropyl-1-(3,4-methylenedioxyphenyl)-2-phenylethylamine1,3-Propanediamine, N'-(1,3-benzodioxol-5-yl)-2-phenylethyl-N,N-diethyl-56208-13-0RefChem:219428DTXSID20971607N~3~-[1-(2H-1,3-Benzodioxol-5-yl)-2-phenylethyl]-N~1~,N~1~-diethylpropane-1,3-diamine
Database identifiers
- CAS
56208-13-0- PubChem CID
- 3043815
- DTXSID
DTXSID20971607
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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