Methyl 5-({[1-(3,4-dichlorophenyl)ethyl]amino}methyl)-1H-pyrrole-2-carboxylate
Basic information
- CAS
1513412-81-1- Standard SMILES
COC(=O)c1ccc(CNC(C)c2ccc(Cl)c(Cl)c2)[nH]1- InChIKey
MRYCRKXZMUCCKY-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2N2O2
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 326.0588831
Names & identifiers
- Preferred name
- Methyl 5-({[1-(3,4-dichlorophenyl)ethyl]amino}methyl)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 5-[[1-(3,4-dichlorophenyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
Names & synonyms
DTXSID001121487AKOS017966764Methyl 5-({[1-(3,4-dichlorophenyl)ethyl]amino}methyl)-1H-pyrrole-2-carboxylate1513412-81-11H-Pyrrole-2-carboxylic acid, 5-[[[1-(3,4-dichlorophenyl)ethyl]amino]methyl]-, methyl ester
Database identifiers
- CAS
1513412-81-1- PubChem CID
- 79413007
- DTXSID
DTXSID001121487
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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