Basic information
- CAS
52258-22-7- Standard SMILES
CN(C)CCCNCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12- InChIKey
JQAKEUUVSBOIFE-UHFFFAOYSA-N- Molecular formula
- C20H24ClN3
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.1658755
Names & identifiers
- Preferred name
- 1,3-Propanediamine, N'-((2-(4-chlorophenyl)-1H-indol-3-yl)methyl)-N,N-dimethyl-
- IUPAC
- N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
Names & synonyms
BRN 04332381,3-Propanediamine, N'-((2-(4-chlorophenyl)-1H-indol-3-yl)methyl)-N,N-dimethyl-52258-22-7DTXSID10200291N'-((2-(4-Chlorophenyl)-1H-indol-3-yl)methyl)-N,N-dimethyl-1,3-propanediamineRefChem:219427DTXCID10122782N~3~-{[2-(4-Chlorophenyl)-1H-indol-3-yl]methyl}-N~1~,N~1~-dimethylpropane-1,3-diamine
Database identifiers
- CAS
52258-22-7- PubChem CID
- 3040468
- DTXSID
DTXSID10200291
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 31.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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