1-(1,3-Dioxolan-2-yl)-4-methylisoquinolin-5-amine
Basic information
- CAS
59261-43-7- Standard SMILES
Cc1cnc(C2OCCO2)c2cccc(N)c12- InChIKey
CHTFMVQQJMQEST-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.10552769
Names & identifiers
- Preferred name
- 1-(1,3-Dioxolan-2-yl)-4-methylisoquinolin-5-amine
- IUPAC
- 1-(1,3-dioxolan-2-yl)-4-methylisoquinolin-5-amine
Names & synonyms
MLS0031155351-(1,3-dioxolan-2-yl)-4-methylisoquinolin-5-amine59261-43-7SMR001831110NSC281731cid_323009CHEMBL2141749DTXSID20314257BDBM114208NSC-281731SR-01000886927SR-01000886927-2
Show more names
1-(1,3-dioxolan-2-yl)-4-methyl-5-isoquinolinamine1-(1,3-dioxolan-2-yl)-4-methyl-isoquinolin-5-amine[1-(1,3-dioxolan-2-yl)-4-methyl-5-isoquinolyl]amine
Database identifiers
- CAS
59261-43-7- PubChem CID
- 323009
- DTXSID
DTXSID20314257- ChEMBL
CHEMBL2141749
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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