N-Phenyl-alpha-2-propen-1-yl-2-thiophenemethanamine
Basic information
- CAS
197147-28-7- Standard SMILES
C=CCC(Nc1ccccc1)c1cccs1- InChIKey
OCGSQXWJDWBJNR-UHFFFAOYSA-N- Molecular formula
- C14H15NS
- Average molar mass
- 229.34 g/mol
- Monoisotopic mass
- 229.09252066
Names & identifiers
- Preferred name
- N-Phenyl-alpha-2-propen-1-yl-2-thiophenemethanamine
- IUPAC
- N-(1-thiophen-2-ylbut-3-enyl)aniline
Names & synonyms
197147-28-7RefChem:364790N-Phenyl-alpha-2-propen-1-yl-2-thiophenemethanamineN-[1-(thiophen-2-yl)but-3-en-1-yl]anilineCHEMBL263396DTXSID301241363N-Phenyl-I+/--2-propen-1-yl-2-thiophenemethanamine
Database identifiers
- CAS
197147-28-7- PubChem CID
- 11629991
- DTXSID
DTXSID301241363- ChEMBL
CHEMBL263396- Nikkaji
- J892.874F
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 211
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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