2-[4-[3-(3-Methylphenyl)propyl]-1-piperazinyl]benzenemethanamine
Basic information
- CAS
1018592-85-2- Standard SMILES
Cc1cccc(CCCN2CCN(c3ccccc3CN)CC2)c1- InChIKey
WRAGYNRSBVBNDI-UHFFFAOYSA-N- Molecular formula
- C21H29N3
- Average molar mass
- 323.5 g/mol
- Monoisotopic mass
- 323.23614794
Names & identifiers
- Preferred name
- 2-[4-[3-(3-Methylphenyl)propyl]-1-piperazinyl]benzenemethanamine
- IUPAC
- [2-[4-[3-(3-methylphenyl)propyl]piperazin-1-yl]phenyl]methanamine
Names & synonyms
DTXSID6011700681018592-85-22-[4-[3-(3-Methylphenyl)propyl]-1-piperazinyl]benzenemethanamine1-(2-{4-[3-(3-Methylphenyl)propyl]piperazin-1-yl}phenyl)methanamine
Database identifiers
- CAS
1018592-85-2- PubChem CID
- 28801975
- DTXSID
DTXSID601170068
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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