Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-
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Basic information
- CAS
41712-62-3- Standard SMILES
CN1CCC2=C(CCCC2)C1CCc1ccccc1- InChIKey
KDCYOWUMMCQWCJ-UHFFFAOYSA-N- Molecular formula
- C18H25N
- Average molar mass
- 255.4 g/mol
- Monoisotopic mass
- 255.1986998
Names & identifiers
- Preferred name
- Isoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-phenethyl-
- IUPAC
- 2-methyl-1-(2-phenylethyl)-3,4,5,6,7,8-hexahydro-1H-isoquinoline
- English name
- 2-methyl-1-phenethyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline
- Molecular formula
- C18H25N
- Molecular weight
- 255.4
Names & synonyms
41712-62-3ISOQUINOLINE, 1,2,3,4,5,6,7,8-OCTAHYDRO-2-METHYL-1-PHENETHYL-RefChem:10876982-methyl-1-phenethyl-3,4,5,6,7,8-hexahydro-1H-isoquinolineBRN 12458971-Phenethyl-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinolineIsoquinoline, 2-methyl-1-phenethyl-1,2,3,4,5,6,7,8-octahydro-DTXSID309619182-Methyl-1-(2-phenylethyl)-1,2,3,4,5,6,7,8-octahydroisoquinoline2-Methyl-1,2,3,4,5,6,7,8-octahydro-1-phenethylisoquinolineIsoquinoline, 1,2,3,4,5,6,7,8-octahydro-2-methyl-1-(2-phenylethyl)-
Database identifiers
- CAS
41712-62-3- PubChem CID
- 38948
- DTXSID
DTXSID30961918- Nikkaji
- J86.397A
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 375.7 · 375.7±11.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 9.16 · 9.16±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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