Basic information
- CAS
104915-39-1- Standard SMILES
CC(c1ccccc1)n1c(N)c(C#N)c2c1CCCC2- InChIKey
RUYZFCWGFUUEIO-UHFFFAOYSA-N- Molecular formula
- C17H19N3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.15789762
Names & identifiers
- Preferred name
- 2-amino-1-(1-phenylethyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrile
- IUPAC
- 2-amino-1-(1-phenylethyl)-4,5,6,7-tetrahydroindole-3-carbonitrile
Names & synonyms
104915-39-12-amino-1-(1-phenylethyl)-4,5,6,7-tetrahydro-1H-indole-3-carbonitrileSCHEMBL4765604DTXSID301157344DA-159652-Amino-4,5,6,7-tetrahydro-1-(1-phenylethyl)-1H-indole-3-carbonitrile
Database identifiers
- CAS
104915-39-1- PubChem CID
- 13640490
- DTXSID
DTXSID301157344
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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