2-(3-Chloro-4-propoxyphenyl)-N,N,3-trimethylpentan-1-amine
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Basic information
- CAS
27778-86-5- Standard SMILES
CCCOc1ccc(C(CN(C)C)C(C)CC)cc1Cl- InChIKey
MBSYIRVXRYXKQC-UHFFFAOYSA-N- Molecular formula
- C17H28ClNO
- Average molar mass
- 297.9 g/mol
- Monoisotopic mass
- 297.1859422
Names & identifiers
- Preferred name
- 2-(3-Chloro-4-propoxyphenyl)-N,N,3-trimethylpentan-1-amine
- IUPAC
- 2-(3-chloro-4-propoxyphenyl)-N,N,3-trimethylpentan-1-amine
- English name
- 3-Chloro-N,N-dimethyl-β-(1-methylpropyl)-4-propoxybenzeneethanamine
- Molecular formula
- C17H28ClNO
- Molecular weight
- 297.86
Names & synonyms
2-(3-chloro-4-propoxyphenyl)-n,n,3-trimethylpentan-1-amine27778-86-5DTXSID50950465RefChem:1061065DTXCID001378624BRN 2811168beta-sec-Butyl-3-chloro-N,N-dimethyl-4-propoxyphenethylaminePhenethylamine, beta-(sec-butyl)-3-chloro-N,N-dimethyl-4-propoxy-3-Chloro-N,N-dimethyl-β-(1-methylpropyl)-4-propoxybenzeneethanamineBenzeneethanamine, 3-chloro-N,N-dimethyl-β-(1-methylpropyl)-4-propoxy-
Database identifiers
- CAS
27778-86-5- PubChem CID
- 214147
- DTXSID
DTXSID50950465- Nikkaji
- J50.019D
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Boiling point
- 367 · 367.0±37.0 °C(Predicted)
- Density
- 0.997 · 0.997±0.06 g/cm3(Predicted)
- pka
- 9.23 · 9.23±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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