Basic information
- Standard SMILES
Clc1cccc(NCCNC2CN3CCC2CC3)c1- InChIKey
XYOIJBNAAKEXEN-UHFFFAOYSA-N- Molecular formula
- C15H22ClN3
- Average molar mass
- 279.81 g/mol
Names & identifiers
- Preferred name
- N-(1-azabicyclo[2.2.2]oct-3 yl)-N'-(3-chlorphenyl)-1,2-diaminoethane
- IUPAC
- N-(1-azabicyclo[2.2.2]octan-3-yl)-N'-(3-chlorophenyl)ethane-1,2-diamine
Names & synonyms
SCHEMBL7276053XYOIJBNAAKEXEN-UHFFFAOYSA-NN-(1-azabicyclo[2.2.2]oct-3 yl)-N'-(3-chlorphenyl)-1,2-diaminoethaneN-(1-azabicyclo[2.2.2]oct-3-yl)-N'-(3-chlorophenyl)-1,2-diaminoethane
Database identifiers
- PubChem CID
- 10492977
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Related reactions
4 records
Linked notes
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