Basic information
- CAS
85868-49-1- Standard SMILES
Nc1ccc(OCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1- InChIKey
YVSOYHIBFVYDRT-UHFFFAOYSA-N- Molecular formula
- C19H24ClN3O
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1607901
Names & identifiers
- Preferred name
- Benzenamine, 4-(3-(4-(4-chlorophenyl)-1-piperazinyl)propoxy)-
- IUPAC
- 4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy]aniline
Names & synonyms
BRN 4543413BENZENAMINE, 4-(3-(4-(4-CHLOROPHENYL)-1-PIPERAZINYL)PROPOXY)-85868-49-14-(3-(4-(4-Chlorophenyl)-1-piperazinyl)propoxy)benzenamineDTXSID60235154RefChem:322885DTXCID601576454-{3-[4-(4-chlorophenyl)piperazin-1-yl]propoxy}aniline
Database identifiers
- CAS
85868-49-1- PubChem CID
- 55417
- DTXSID
DTXSID60235154
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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