Basic information
- CAS
52018-88-9- Standard SMILES
CC(N)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12- InChIKey
YPIHUDXZFADMFV-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2
- Average molar mass
- 284.8 g/mol
- Monoisotopic mass
- 284.1080262
Names & identifiers
- Preferred name
- Indole, 3-(2-aminopropyl)-2-(p-chlorophenyl)-
- IUPAC
- 1-[2-(4-chlorophenyl)-1H-indol-3-yl]propan-2-amine
- English name
- 2-(p-Chlorophenyl)-α-methyl-1H-indole-3-ethanamine
- Molecular formula
- C17H17ClN2
- Molecular weight
- 284.78
Names & synonyms
3-(2-Aminopropyl)-2-(p-chlorophenyl)indole52018-88-9INDOLE, 3-(2-AMINOPROPYL)-2-(p-CHLOROPHENYL)-1H-Indole-3-ethanamine, 2-(4-chlorophenyl)-alpha-methyl-RefChem:3492351H-Indole-3-ethanamine, 2-(4-chlorophenyl)-alpha-methyl-(9CI)1-[2-(4-chlorophenyl)-1H-indol-3-yl]propan-2-amineDTXSID509663492-(p-Chlorophenyl)-α-methyl-1H-indole-3-ethanamine1H-Indole-3-ethanamine, 2-(4-chlorophenyl)-α-methyl-
Database identifiers
- CAS
52018-88-9- PubChem CID
- 40192
- DTXSID
DTXSID50966349- Nikkaji
- J62.649J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 492.1 · 492.1±40.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 16.51 · 16.51±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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