(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-yl-methyl)-(4-methoxy-phenyl)-amine
Basic information
- CAS
312585-47-0- Standard SMILES
COc1ccc(NCC2OCc3ccccc3CO2)cc1- InChIKey
GMHNMDZBEDXUMQ-UHFFFAOYSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-yl-methyl)-(4-methoxy-phenyl)-amine
- IUPAC
- N-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methoxyaniline
- English name
- (5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-yl-methyl)-(4-methoxy-phenyl)-amine
- Molecular formula
- C17H19NO3
- Molecular weight
- 285.34
Names & synonyms
312585-47-0(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-yl-methyl)-(4-methoxy-phenyl)-amineN-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methoxyanilineN-((1,5-Dihydrobenzo[e][1,3]dioxepin-3-yl)methyl)-4-methoxyaniline(5,9-Dihydro-6,8-dioxa-benzocyclohepten-7-ylmethyl)-(4-methoxy-phenyl)-amineZINC258218MFCD01909798N-(1,5-Dihydro-2,4-benzodioxepin-3-ylmethyl)-4-methoxy-anilineN-[(3,5-dihydro-1H-2,4-benzodioxepin-3-yl)methyl]-4-methoxyanilineSCHEMBL23873648DTXSID10354425SMSF0009611
Show more names
2,4-Benzodioxepin-3-methanamine, 1,5-dihydro-N-(4-methoxyphenyl)-
2,4-Benzodioxepin-3-methanamine,1,5-dihydro-N-(4-methoxyphenyl)-BBL000193STK069849ZINC00258218COc1ccc(cc1)NCC1OCc2c(CO1)cccc2AKOS000301293CB01074SB82253
Database identifiers
- CAS
312585-47-0- PubChem CID
- 773369
- DTXSID
DTXSID10354425
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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