9-Chloro-3,4-dihydro-N-pentyl-2H-1,5-benzodioxepin-7-methanamine
Basic information
- CAS
1094242-67-7- Standard SMILES
CCCCCNCc1cc(Cl)c2c(c1)OCCCO2- InChIKey
MUUMTHCUNVJDKM-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Names & identifiers
- Preferred name
- 9-Chloro-3,4-dihydro-N-pentyl-2H-1,5-benzodioxepin-7-methanamine
- IUPAC
- N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pentan-1-amine
Names & synonyms
DTXSID1011705189-Chloro-3,4-dihydro-N-pentyl-2H-1,5-benzodioxepin-7-methanamineAKOS0090038371094242-67-7N-[(9-Chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]pentan-1-amine
Database identifiers
- CAS
1094242-67-7- PubChem CID
- 43087656
- DTXSID
DTXSID101170518
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…