Indole, 1-(2-(dimethylamino)ethyl)-3-(p-ethoxybenzyl)-5-nitro-
Basic information
- CAS
101831-86-1- Standard SMILES
CCOc1ccc(Cc2cn(CCN(C)C)c3ccc([N+](=O)[O-])cc23)cc1- InChIKey
YQRPQNMVVUYXBV-UHFFFAOYSA-N- Molecular formula
- C21H25N3O3
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.18959167
Names & identifiers
- Preferred name
- Indole, 1-(2-(dimethylamino)ethyl)-3-(p-ethoxybenzyl)-5-nitro-
- IUPAC
- 2-[3-[(4-ethoxyphenyl)methyl]-5-nitroindol-1-yl]-N,N-dimethylethanamine
Names & synonyms
5-Nitro-3-(p-ethoxybenzyl)-1-(N,N'-dimethylaminoethyl)indole101831-86-1INDOLE, 1-(2-(DIMETHYLAMINO)ETHYL)-3-(p-ETHOXYBENZYL)-5-NITRO-DTXSID90144225RefChem:349132DTXCID30667162-{3-[(4-Ethoxyphenyl)methyl]-5-nitro-1H-indol-1-yl}-N,N-dimethylethan-1-amine
Database identifiers
- CAS
101831-86-1- PubChem CID
- 58941
- DTXSID
DTXSID90144225
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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