6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Basic information
- CAS
58960-01-3- Standard SMILES
COc1ccc2c(c1)NCC(C)O2- InChIKey
PNYPRNZOFMKVSJ-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
- IUPAC
- 6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
Names & synonyms
6-methoxy-2-methyl-3,4-dihydro-2H-1,4-benzoxazine58960-01-3CHEMBL4531398ICA96001AKOS022279286EN300-91776Z1255388610
Database identifiers
- CAS
58960-01-3- PubChem CID
- 54595686
- ChEMBL
CHEMBL4531398- EC Number
- 191-401-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
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