Basic information
- Standard SMILES
CC=CCNc1ccc(Cl)c(C(C)C)c1- InChIKey
YCCORWIASVDJCG-UHFFFAOYSA-N- Molecular formula
- C13H18ClN
- Average molar mass
- 223.74 g/mol
- Monoisotopic mass
- 223.1127773
Names & identifiers
- Preferred name
- N-(2-butenyl)-N-(4-chloro-3-isopropylphenyl)amine
- IUPAC
- N-but-2-enyl-4-chloro-3-propan-2-ylaniline
Names & synonyms
SCHEMBL9669895YCCORWIASVDJCG-UHFFFAOYSA-NN-(2-butenyl)-N-(4-chloro-3-isopropylphenyl)amine
Database identifiers
- PubChem CID
- 54500563
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Related reactions
3 records
Compound notes
Loading…