6,7-dihydro-8-phenyl-9-(4-(2-(dimethylamino)ethoxy)phenyl)-5-H-benzocycloheptene
Basic information
- CAS
103304-52-5- Standard SMILES
CN(C)CCOc1ccc(C2=C(c3ccccc3)CCCc3ccccc32)cc1- InChIKey
GILOKSKCLQASEB-UHFFFAOYSA-N- Molecular formula
- C27H29NO
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.22491455
Overview
RN & structure given in first source
Names & identifiers
- Preferred name
- 6,7-dihydro-8-phenyl-9-(4-(2-(dimethylamino)ethoxy)phenyl)-5-H-benzocycloheptene
- IUPAC
- N,N-dimethyl-2-[4-(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]ethanamine
- English name
- 6,7-dihydro-8-phenyl-9-(4-(2-(dimethylamino)ethoxy)phenyl)-5-H-benzocycloheptene
- Molecular formula
- C27H29NO
- Molecular weight
- 383.53
Names & synonyms
6,7-Dpdmepb103304-52-56,7-Dihydro-8-phenyl-9-(4-(2-(dimethylamino)ethoxy)phenyl)-5-H-benzocyclohepteneDTXSID50145778RefChem:103821DTXCID7068269CHEMBL230636,7-dihydro-8-phenyl-9-[4-[2-(dimethylamino) ethoxy]phenyl]5h-benzcyclo-hepteneEthanamine, 2-(4-(6,7-dihydro-8-phenyl-5H-benzocyclohepten-9-yl)phenoxy)-N,N-dimethyl-N,N-Dimethyl-2-[4-(8-phenyl-6,7-dihydro-5H-benzo[7]annulen-9-yl)phenoxy]ethan-1-amineEthanamine, 2-[4-(6,7-dihydro-8-phenyl-5H-benzocyclohepten-9-yl)phenoxy]-N,N-dimethyl-
Database identifiers
- CAS
103304-52-5- PubChem CID
- 128246
- DTXSID
DTXSID50145778- ChEMBL
CHEMBL23063- Nikkaji
- J370.397E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 525
Physicochemical properties
- Boiling point
- 521.8 · 521.8±50.0 °C(Predicted)
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- pka
- 8.7 · 8.70±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…