3-(1-Chloro-2-methyl-1-phenylpropan-2-yl)pyridine
Basic information
- CAS
87372-77-8- Standard SMILES
CC(C)(c1cccnc1)C(Cl)c1ccccc1- InChIKey
DEEQECRKPXLAOA-UHFFFAOYSA-N- Molecular formula
- C15H16ClN
- Average molar mass
- 245.74 g/mol
- Monoisotopic mass
- 245.0971272
Names & identifiers
- Preferred name
- 3-(1-Chloro-2-methyl-1-phenylpropan-2-yl)pyridine
- IUPAC
- 3-(1-chloro-2-methyl-1-phenylpropan-2-yl)pyridine
Names & synonyms
CHEMBL557463-(1-Chloro-2-methyl-1-phenylpropan-2-yl)pyridine87372-77-83-(2-Chloro-1,1-dimethyl-2-phenyl-ethyl)-pyridineDTXSID30658230BDBM50028163PD180815
Database identifiers
- CAS
87372-77-8- PubChem CID
- 44299142
- DTXSID
DTXSID30658230- ChEMBL
CHEMBL55746
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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