Benzenemethanamine, 2-bromo-N-propyl-5-[2-(2-thienyl)ethoxy]-
Basic information
- CAS
1523412-60-3- Standard SMILES
CCCNCc1cc(OCCc2cccs2)ccc1Br- InChIKey
LRWBVINTVJYVAW-UHFFFAOYSA-N- Molecular formula
- C16H20BrNOS
- Average molar mass
- 354.3 g/mol
- Monoisotopic mass
- 353.0449
Names & identifiers
- Preferred name
- Benzenemethanamine, 2-bromo-N-propyl-5-[2-(2-thienyl)ethoxy]-
- IUPAC
- N-[[2-bromo-5-(2-thiophen-2-ylethoxy)phenyl]methyl]propan-1-amine
Names & synonyms
DTXSID201181184AKOS020170785Benzenemethanamine, 2-bromo-N-propyl-5-[2-(2-thienyl)ethoxy]-N-({2-Bromo-5-[2-(thiophen-2-yl)ethoxy]phenyl}methyl)propan-1-amine1523412-60-3
Database identifiers
- CAS
1523412-60-3- PubChem CID
- 81591745
- DTXSID
DTXSID201181184
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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