Basic information
- CAS
52994-61-3- Standard SMILES
CNCCc1csc2ccccc12- InChIKey
UWWLQUATUMACJU-UHFFFAOYSA-N- Molecular formula
- C11H13NS
- Average molar mass
- 191.29 g/mol
- Monoisotopic mass
- 191.07687059
Names & identifiers
- Preferred name
- Benzo(b)thiophene-3-ethylamine, N-methyl-
- IUPAC
- 2-(1-benzothiophen-3-yl)-N-methylethanamine
Names & synonyms
52994-61-3BRN 1367853BENZO(b)THIOPHENE-3-ETHYLAMINE, N-METHYL-N-Methylbenzo(b)thiophene-3-ethylamine3-(2-(Methylamino)ethyl)benzo(b)thiopheneDTXSID70201027RefChem:326251DTXCID70123518[2-(1-benzothiophen-3-yl)ethyl](methyl)amine2-(Benzo[b]thiophen-3-yl)-N-methylethan-1-amineSCHEMBL6973697AKOS013048457
Show more names
2-(1-benzothien-3-yl)-N-methylethanamineEN300-18598502-(1-Benzothiophen-3-yl)-N-methylethan-1-amineAA-516/30131002
Database identifiers
- CAS
52994-61-3- PubChem CID
- 40599
- DTXSID
DTXSID70201027
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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