Basic information
- CAS
854670-99-8- Standard SMILES
CCOC(CCNCc1ccc(Cl)cc1)OCC- InChIKey
DXNDXVTVWJBYNF-UHFFFAOYSA-N- Molecular formula
- C14H22ClNO2
- Average molar mass
- 271.78 g/mol
- Monoisotopic mass
- 271.1339066
Names & identifiers
- Preferred name
- 4-Chloro-N-(3,3-diethoxypropyl)benzenemethanamine
- IUPAC
- N-[(4-chlorophenyl)methyl]-3,3-diethoxypropan-1-amine
Names & synonyms
DTXSID201232448AKOS0196626134-Chloro-N-(3,3-diethoxypropyl)benzenemethanamineN-[(4-Chlorophenyl)methyl]-3,3-diethoxypropan-1-amine854670-99-8
Database identifiers
- CAS
854670-99-8- PubChem CID
- 81093239
- DTXSID
DTXSID201232448
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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