Basic information
- Standard SMILES
CCOC(=O)c1[nH]c2ccccc2c1C(c1ccccc1)N(C)C- InChIKey
LXDIIORCAOTLRS-UHFFFAOYSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
Names & identifiers
- Preferred name
- 3-(Dimethylaminophenylmethyl)-1H-indole-2-carboxylic Acid Ethyl Ester
- IUPAC
- ethyl 3-[dimethylamino(phenyl)methyl]-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL5261636LXDIIORCAOTLRS-UHFFFAOYSA-N3-(Dimethylaminophenylmethyl)-1H-indole-2-carboxylic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 9880205
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Related reactions
2 records
Compound notes
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