Basic information
- CAS
85868-47-9- Standard SMILES
COc1cccc(N2CCN(CCCOc3ccc(N)cc3)CC2)c1- InChIKey
CBORVFNRJBBETR-UHFFFAOYSA-N- Molecular formula
- C20H27N3O2
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.21032711
Names & identifiers
- Preferred name
- Benzenamine, 4-(3-(4-(3-methoxyphenyl)-1-piperazinyl)propoxy)-
- IUPAC
- 4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]aniline
Names & synonyms
BRN 4551726BENZENAMINE, 4-(3-(4-(3-METHOXYPHENYL)-1-PIPERAZINYL)PROPOXY)-85868-47-94-(3-(4-(3-Methoxyphenyl)-1-piperazinyl)propoxy)benzenamineDTXSID40235152RefChem:322884DTXCID401576434-{3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}aniline
Database identifiers
- CAS
85868-47-9- PubChem CID
- 55415
- DTXSID
DTXSID40235152
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 51 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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