3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
Basic information
- CAS
52055-73-9- Standard SMILES
Cc1ccc2c(c1)CN(Cc1ccccc1)CO2- InChIKey
VFGSMUQJSKXXKH-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101417
Names & identifiers
- Preferred name
- 3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine
- IUPAC
- 3-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine
- English name
- 3-Benzyl-3,4-dihydro-6-methyl-2H-1,3-benzoxazine
- Molecular formula
- C16H17NO
- Molecular weight
- 239.31
Names & synonyms
3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine52055-73-9DTXSID40301780RefChem:277045DTXCID302529143-benzyl-6-methyl-2,4-dihydro-1,3-benzoxazine3-Benzyl-6-methyl-3,4-dihydro-2H-benzo[e][1,3]oxazine3-Benzyl-3,4-dihydro-6-methyl-2H-1,3-benzoxazineNSC146339SCHEMBL28685013VFGSMUQJSKXXKH-UHFFFAOYSA-N2H-1,3-Benzoxazine, 3,4-dihydro-6-methyl-3-(phenylmethyl)-
Show more names
3,4-Dihydro-6-methyl-3-(phenylmethyl)-2H-1,3-benzoxazine
NSC-146339DB-3151102H-1, 3,4-dihydro-6-methyl-3-(phenylmethyl)-3-Benzyl -3,4-dihydro-6-methyl -2h-1,3-benzoxazine3-Benzyl-6-methyl-3,4-dihydro-2H-1,3-benzoxazine #
Database identifiers
- CAS
52055-73-9- PubChem CID
- 286994
- DTXSID
DTXSID40301780- Nikkaji
- J122.168J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 262
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Compound notes
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