Basic information
- Standard SMILES
COC(=O)c1ccc2c(c1)c(Cc1ccc(N)cc1)cn2C- InChIKey
LLQIENLAISUCKR-UHFFFAOYSA-N- Molecular formula
- C18H18N2O2
- Average molar mass
- 294.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-amino-benzyl)-1-methyl-1H-indole-5-carboxylic acid methyl ester
- IUPAC
- methyl 3-[(4-aminophenyl)methyl]-1-methylindole-5-carboxylate
Names & synonyms
SCHEMBL5452722LLQIENLAISUCKR-UHFFFAOYSA-N3-(4-amino-benzyl)-1-methyl-1H-indole-5-carboxylic acid methyl ester3-(4-amino-phenylmethyl)-1-methyl-1H-indole-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69447499
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Related reactions
8 records
Compound notes
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