Basic information
- CAS
1216285-08-3- Standard SMILES
Cc1c(N)cccc1CN1CCC2CCCCC2C1- InChIKey
WYVGQDYOKYVMTC-UHFFFAOYSA-N- Molecular formula
- C17H26N2
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.20959884
Names & identifiers
- Preferred name
- 2-Methyl-3-[(octahydro-2(1H)-isoquinolinyl)methyl]benzenamine
- IUPAC
- 3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2-methylaniline
Names & synonyms
DTXSID1011814502-Methyl-3-[(octahydro-2(1H)-isoquinolinyl)methyl]benzenamine1216285-08-32-Methyl-3-[(octahydroisoquinolin-2(1H)-yl)methyl]aniline
Database identifiers
- CAS
1216285-08-3- PubChem CID
- 43620122
- DTXSID
DTXSID101181450
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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