N-butyl-N-[4-(1H-inden-1-ylidenemethyl)phenyl]amine
Basic information
- CAS
2428-36-6- Standard SMILES
CCCCNc1ccc(/C=C2\C=Cc3ccccc32)cc1- InChIKey
NHLXLHWBVMHQOM-OBGWFSINSA-N- Molecular formula
- C20H21N
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.16739967
Names & identifiers
- Preferred name
- N-butyl-N-[4-(1H-inden-1-ylidenemethyl)phenyl]amine
- IUPAC
- N-butyl-4-[(E)-inden-1-ylidenemethyl]aniline
Names & synonyms
NSC86435NSC-86435N-butyl-N-[4-(1H-inden-1-ylidenemethyl)phenyl]amineCHEMBL2138575NCGC00184076-01NCGC00184076-02NCGC00184076-03NCGC00184076-04NCGC00184076-05AT-051/43421306
Database identifiers
- CAS
2428-36-6- PubChem CID
- 6285063
- ChEMBL
CHEMBL2138575
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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