Benzo[b]thiophen-2-ylmethyl-(2-methoxyethyl) amine
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Basic information
- CAS
886506-02-1- Standard SMILES
COCCNCc1cc2ccccc2s1- InChIKey
DLSVHICTLXDSJC-UHFFFAOYSA-N- Molecular formula
- C12H15NOS
- Average molar mass
- 221.32 g/mol
- Monoisotopic mass
- 221.08743528
Names & identifiers
- Preferred name
- Benzo[b]thiophen-2-ylmethyl-(2-methoxyethyl) amine
- IUPAC
- N-(1-benzothiophen-2-ylmethyl)-2-methoxyethanamine
- English name
- BENZO[B]THIOPHEN-2-YLMETHYL-(2-METHOXY-ETHYL)-AMINE
- Molecular formula
- C12H15NOS
- Molecular weight
- 221.32
Names & synonyms
Benzo[b]thiophen-2-ylmethyl-(2-methoxyethyl) aminebenzo[b]thiophen-2-ylmethyl-(2-methoxy-ethyl)-aminebenzo[b]thiophen-2-ylmethyl-(2-methoxyethyl)amineN-(benzothiophen-2-ylmethyl)-2-methoxy-ethanamineN-(1-benzothiophen-2-ylmethyl)-2-methoxyethanamineDTXSID201235161MFCD06740601AKOS003593736N-(2-Methoxyethyl)benzo[b]thiophene-2-methanamineN-[(1-Benzothiophen-2-yl)methyl]-2-methoxyethan-1-amine1-(Benzo[b]thiophen-2-yl)-3-methoxypropan-2-amineBenzo[b]thiophene-2-methanamine, N-(2-methoxyethyl)-
Database identifiers
- CAS
886506-02-1- PubChem CID
- 4777620
- DTXSID
DTXSID201235161
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Physicochemical properties
- Boiling point
- 334.5 · 334.5±22.0 °C(Predicted)
- Density
- 1.14 · 1.140±0.06 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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