Basic information
- CAS
147241-80-3- Standard SMILES
CN(C)CCOc1ccc2c(c1)OC(C)(C)CC2c1ccc(C(F)(F)F)cc1- InChIKey
FRYSRIHJRHPXIK-UHFFFAOYSA-N- Molecular formula
- C22H26F3NO2
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.19156356
Names & identifiers
- Preferred name
- 2-((3,4-Dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine
- IUPAC
- 2-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamine
Names & synonyms
2-((3,4-Dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamineRefChem:908975BRL-16657 free base147241-80-3UNII-I14G374COHI14G374COHBRL 16657- parentEthanamine, 2-((3,4-dihydro-2,2-dimethyl-4-(4-(trifluoromethyl)phenyl)-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-2-[[2,2-dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydrochromen-7-yl]oxy]-N,N-dimethylethanamineDTXSID2043957SCHEMBL11364650Q27280234
Show more names
2,2-dimethyl-7-(2-dimethylaminoethoxy)-4-(4-trifluoromethylphenyl)chroman2-({2,2-Dimethyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-N,N-dimethylethan-1-amine
Database identifiers
- CAS
147241-80-3- PubChem CID
- 42990
- DTXSID
DTXSID2043957- UNII
- I14G374COH
- Nikkaji
- J535.375K
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 501
Related reactions
2 records
Compound notes
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