Ethanone, 2-(methyl(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride

HCID 39331

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 42882-44-0
Standard SMILES: C[NH+](CC(=O)c1ccc2c(c1)CCCCC2)Cc1ccccc1.[Cl-]
InChIKey: YWTPPBCTRBFSHK-UHFFFAOYSA-N
Molecular formula: C21H26ClNO
Average molar mass: 343.9 g/mol
Monoisotopic mass: 343.1702921

Names & identifiers

Preferred name: Ethanone, 2-(methyl(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochloride
IUPAC: benzyl-methyl-[2-oxo-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)ethyl]azanium chloride

Names & synonyms

42882-44-0Ethanone, 2-(methyl(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)-, hydrochlorideRefChem:10845982-(Methyl(phenylmethyl)amino)-1-(6,7,8,9-tetrahydro-5H-benzocyclohepten-2-yl)ethanone HCl

Database identifiers

CAS: 42882-44-0
PubChem CID: 39331

Properties

Computed structural properties

Topological polar surface area: 21.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 374

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…