Basic information
- CAS
77828-25-2- Standard SMILES
CNCC(O)C1=CC2(CCCC2)c2ccccc21- InChIKey
QZWJNLCOJAICKS-UHFFFAOYSA-N- Molecular formula
- C16H21NO
- Average molar mass
- 243.34 g/mol
- Monoisotopic mass
- 243.16231429
Overview
alpha adrenoceptor agonist
Names & identifiers
- Preferred name
- Kabi 2023
- IUPAC
- 2-(methylamino)-1-spiro[cyclopentane-1,3'-indene]-1'-ylethanol
Names & synonyms
Kabi 2023Kabi-202377828-25-2Spiro(cyclopentane-1,1'-(1H)indene)-3'-methanol, alpha-((methylamino)methyl)-RefChem:1507272-Methylammonio-1-(spiro(cyclopentane-1,1'-indene)-3'-yl)ethanolSCHEMBL11288858SCHEMBL31452460DTXSID50999036QZWJNLCOJAICKS-UHFFFAOYSA-N2-methylamino-1-[spiro(cyclopentane-1,1'-indene)-3'-yl]-ethanol2-Methylamino-1-[spiro(cyclopentane-1,1'-indene)-3'-yl]ethanol
Show more names
2-(Methylamino)-1-(spiro[cyclopentane-1,1'-inden]-3'-yl)ethan-1-ol
Database identifiers
- CAS
77828-25-2- PubChem CID
- 192124
- DTXSID
DTXSID50999036- Nikkaji
- J473.110G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
5 records
Compound notes
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