Basic information
- Standard SMILES
C=CCCNCCc1ccccc1- InChIKey
NYLQOUGTTNYEIE-UHFFFAOYSA-N- Molecular formula
- C12H17N
- Average molar mass
- 175.27 g/mol
Names & identifiers
- Preferred name
- N-(2-phenylethyl)but-3-en-1-amine
- IUPAC
- N-(2-phenylethyl)but-3-en-1-amine
Names & synonyms
N-(2-phenylethyl)but-3-en-1-amine867324-06-9(but-3-en-1-yl)(2-phenylethyl)amineMFCD20289163but-3-en-1-yl(2-phenylethyl)amineBenzeneethanamine, N-3-butenyl-But-3-enyl-phenethyl-amineSCHEMBL1358088SCHEMBL13123619NYLQOUGTTNYEIE-UHFFFAOYSA-NALBB-022269AKOS013636564
Show more names
LS-06924H33517
Database identifiers
- PubChem CID
- 16720109
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Related reactions
7 records
Compound notes
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