2-[(Tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
Basic information
- CAS
15982-54-4- Standard SMILES
CC(C)(C)NC(C1=CC(C)(C)c2ccccc2C1=O)c1ccccc1- InChIKey
UAZPYFWXSMGWHR-UHFFFAOYSA-N- Molecular formula
- C23H27NO
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.20926449
Names & identifiers
- Preferred name
- 2-[(Tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one
- IUPAC
- 2-[(tert-butylamino)-phenylmethyl]-4,4-dimethylnaphthalen-1-one
Names & synonyms
15982-54-4NSC1503472-[(tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-oneDTXSID70302346NSC-150347
Database identifiers
- CAS
15982-54-4- PubChem CID
- 288969
- DTXSID
DTXSID70302346
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
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Compound notes
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