N-ethyl-N-(3-phenylprop-2-ynyl)aniline
Basic information
- CAS
6279-95-4- Standard SMILES
CCN(CC#Cc1ccccc1)c1ccccc1- InChIKey
JZQDBTBFNWOTND-UHFFFAOYSA-N- Molecular formula
- C17H17N
- Average molar mass
- 235.32 g/mol
- Monoisotopic mass
- 235.13609955
Names & identifiers
- Preferred name
- N-ethyl-N-(3-phenylprop-2-ynyl)aniline
- IUPAC
- N-ethyl-N-(3-phenylprop-2-ynyl)aniline
Names & synonyms
N-ethyl-N-(3-phenylprop-2-ynyl)aniline6279-95-4DTXSID80279015RefChem:364000DTXCID30230171n-ethyl-n-(3-phenylprop-2-yn-1-yl)anilineNSC11025NSC-11025
Database identifiers
- CAS
6279-95-4- PubChem CID
- 223398
- DTXSID
DTXSID80279015
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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