Basic information
- CAS
28164-40-1- Standard SMILES
CNc1ccc(/C=C2\C=Cc3ccccc32)cc1Cl- InChIKey
RLCXYUQVZSYSGK-GXDHUFHOSA-N- Molecular formula
- C17H14ClN
- Average molar mass
- 267.8 g/mol
- Monoisotopic mass
- 267.0814771
Names & identifiers
- Preferred name
- p-Toluidine, 2-chloro-alpha-inden-1-ylidene-N-methyl-
- IUPAC
- 2-chloro-4-[(E)-inden-1-ylidenemethyl]-N-methylaniline
Names & synonyms
NSC118306CHEMBL1885358p-Toluidine, 2-chloro-.alpha.-inden-1-ylidene-N-methyl-Benzenamine, 2-chloro-4-(1H-inden-1-ylidenemethyl)-N-methyl-NSC-118306NCGC00184001-01NCGC00184001-02NCGC00184001-03NCGC00184001-04NCGC00184001-05AT-051/43421321N-[2-chloro-4-(1H-inden-1-ylidenemethyl)phenyl]-N-methylamine
Database identifiers
- CAS
28164-40-1- PubChem CID
- 5778028
- ChEMBL
CHEMBL1885358
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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