Basic information
- CAS
1016684-79-9- Standard SMILES
Nc1ccc(COCC2CCCO2)cc1- InChIKey
DXQSOHURIJMDJH-UHFFFAOYSA-N- Molecular formula
- C12H17NO2
- Average molar mass
- 207.27 g/mol
- Monoisotopic mass
- 207.12592879
Names & identifiers
- Preferred name
- 4-[[(Tetrahydro-2-furanyl)methoxy]methyl]benzenamine
- IUPAC
- 4-(oxolan-2-ylmethoxymethyl)aniline
Names & synonyms
4-[[(Tetrahydro-2-furanyl)methoxy]methyl]benzenamineDTXSID301220882AKOS0001587801016684-79-94-{[(Oxolan-2-yl)methoxy]methyl}aniline
Database identifiers
- CAS
1016684-79-9- PubChem CID
- 20119635
- DTXSID
DTXSID301220882
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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