Basic information
- CAS
1095255-84-7- Standard SMILES
Clc1cccc(Oc2ccc(Br)cc2)c1CNC1CC1- InChIKey
CHJKACVXWWHBRP-UHFFFAOYSA-N- Molecular formula
- C16H15BrClNO
- Average molar mass
- 352.65 g/mol
- Monoisotopic mass
- 351.00255
Names & identifiers
- Preferred name
- 2-(4-Bromophenoxy)-6-chloro-N-cyclopropylbenzenemethanamine
- IUPAC
- N-[[2-(4-bromophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
Names & synonyms
2-(4-Bromophenoxy)-6-chloro-N-cyclopropylbenzenemethanamineDTXSID9011908211095255-84-7N-{[2-(4-Bromophenoxy)-6-chlorophenyl]methyl}cyclopropanamine
Database identifiers
- CAS
1095255-84-7- PubChem CID
- 43282941
- DTXSID
DTXSID901190821
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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