Basic information
- CAS
6739-81-7- Standard SMILES
CN1CCCC1CCC1(O)c2ccccc2CCc2ccccc21- InChIKey
ARYYLQUGRJYAHD-UHFFFAOYSA-N- Molecular formula
- C22H27NO
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.20926449
Names & identifiers
- Preferred name
- 10,11-Dihydro-5-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5H-dibenzo[a,d]cyclohepten-5-ol
- IUPAC
- 2-[2-(1-methylpyrrolidin-2-yl)ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Names & synonyms
DTXSID00113084210,11-Dihydro-5-[2-(1-methyl-2-pyrrolidinyl)ethyl]-5H-dibenzo[a,d]cyclohepten-5-ol5-[2-(1-methylpyrrolidin-2-yl)ethyl]-10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-ol6739-81-7
Database identifiers
- CAS
6739-81-7- PubChem CID
- 54098
- DTXSID
DTXSID001130842
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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