Ethanamine, N,N-diethyl-2-((4-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-
Basic information
- CAS
87673-14-1- Standard SMILES
CCN(CC)CCSC1c2ccccc2COc2c(C)cccc21- InChIKey
HBSUWBXTUSZLDU-UHFFFAOYSA-N- Molecular formula
- C21H27NOS
- Average molar mass
- 341.5 g/mol
- Monoisotopic mass
- 341.18133566
Names & identifiers
- Preferred name
- Ethanamine, N,N-diethyl-2-((4-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-
- IUPAC
- N,N-diethyl-2-[(4-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine
Names & synonyms
4-Methyl-11-(2-(diethylamino)ethyl)thio-6,11-dihydrodibenz(b,e)oxepin87673-14-1Ethanamine, N,N-diethyl-2-((4-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)-N,N-Diethyl-2-((4-methyl-6,11-dihydrodibenz(b,e)oxepin-11-yl)thio)ethanamineRefChem:339860SCHEMBL10880774DTXSID601007720N,N-Diethyl-2-[(4-methyl-6,11-dihydrodibenzo[b,e]oxepin-11-yl)sulfanyl]ethan-1-amine
Database identifiers
- CAS
87673-14-1- PubChem CID
- 3071307
- DTXSID
DTXSID601007720
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…