1-benzyl-3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1H-indole-2-carboxylic acid
Basic information
- CAS
1217861-82-9- Standard SMILES
CC1CCCC(NCc2c(C(=O)O)n(Cc3ccccc3)c3ccccc23)C1C- InChIKey
RDJPCJXDSFJBMZ-UHFFFAOYSA-N- Molecular formula
- C25H30N2O2
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.2307282
Names & identifiers
- Preferred name
- 1-benzyl-3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1H-indole-2-carboxylic acid
- IUPAC
- 1-benzyl-3-[[(2,3-dimethylcyclohexyl)amino]methyl]indole-2-carboxylic acid
Names & synonyms
1-benzyl-3-{[(2,3-dimethylcyclohexyl)amino]methyl}-1H-indole-2-carboxylic acid1217861-82-91-benzyl-3-[[(2,3-dimethylcyclohexyl)amino]methyl]indole-2-carboxylic acidDTXSID401126746AKOS022036148SR-01000106197SR-01000106197-13-[[(2,3-Dimethylcyclohexyl)amino]methyl]-1-(phenylmethyl)-1H-indole-2-carboxylic acid
Database identifiers
- CAS
1217861-82-9- PubChem CID
- 53207166
- DTXSID
DTXSID401126746
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…