Basic information
- Standard SMILES
Nc1c(Br)cc(C(=O)OCCCCCCl)cc1CNC1CCCCC1- InChIKey
MSXLKOHGEVBJJD-UHFFFAOYSA-N- Molecular formula
- C19H28BrClN2O2
- Average molar mass
- 431.8 g/mol
Names & identifiers
- Preferred name
- 5-(4-Amino-3-bromo-5-cyclohexylaminomethyl-benzoyloxy)-n-pentyl chloride
- IUPAC
- 5-chloropentyl 4-amino-3-bromo-5-[(cyclohexylamino)methyl]benzoate
Names & synonyms
SCHEMBL11160501MSXLKOHGEVBJJD-UHFFFAOYSA-N5-(4-amino-3-bromo-5-cyclohexylaminomethyl-benzoyloxy)-n-pentyl chloride
Database identifiers
- PubChem CID
- 20515993
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
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