[(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
Basic information
- CAS
791601-05-3- Standard SMILES
COc1ccc(CNC(C)Cc2cccs2)cc1- InChIKey
XHWZLEVFEBMEDG-UHFFFAOYSA-N- Molecular formula
- C15H19NOS
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.1187354
Names & identifiers
- Preferred name
- [(4-Methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
- IUPAC
- N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-amine
Names & synonyms
791601-05-3[(4-methoxyphenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amineN-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylpropan-2-aminen-(4-Methoxybenzyl)-1-(thiophen-2-yl)propan-2-amineMLS001007907CHEMBL1543411DTXSID301325981HMS2716G13AKOS008967740SMR000352755CS-0277753EN300-11254
Show more names
Z57039606N-[(4-Methoxyphenyl)methyl]-1-(thiophen-2-yl)propan-2-amine
Database identifiers
- CAS
791601-05-3- PubChem CID
- 4868415
- DTXSID
DTXSID301325981- ChEMBL
CHEMBL1543411
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 229
Experimental & physicochemical properties
Solubility30.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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