Basic information
- CAS
1157694-26-2- Standard SMILES
CC(NC(C)c1cccc(Cl)c1)c1ccc(I)cc1- InChIKey
LZXXRYFQSSPHGU-UHFFFAOYSA-N- Molecular formula
- C16H17ClIN
- Average molar mass
- 385.67 g/mol
- Monoisotopic mass
- 385.00942
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-N-[1-(4-iodophenyl)ethyl]ethan-1-amine
- IUPAC
- N-[1-(3-chlorophenyl)ethyl]-1-(4-iodophenyl)ethanamine
Names & synonyms
DTXSID7011823631157694-26-21-(3-Chlorophenyl)-N-[1-(4-iodophenyl)ethyl]ethan-1-amine3-Chloro-N-[1-(4-iodophenyl)ethyl]-I+/--methylbenzenemethanamine
Database identifiers
- CAS
1157694-26-2- PubChem CID
- 43767390
- DTXSID
DTXSID701182363
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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