1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine
Basic information
- CAS
5564-13-6- Standard SMILES
CNC(C)Cc1c[nH]c2ccc(SCc3ccccc3)cc12- InChIKey
WUCSBBFMOBYCLN-UHFFFAOYSA-N- Molecular formula
- C19H22N2S
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.15036988
Names & identifiers
- Preferred name
- 1-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine
- IUPAC
- 1-(5-benzylsulfanyl-1H-indol-3-yl)-N-methylpropan-2-amine
Names & synonyms
5564-13-6DTXSID909709801-(5-(Benzylsulfanyl)-1H-indol-3-yl)-N-methylpropan-2-amine1-[5-(benzylsulfanyl)-1H-indol-3-yl]-N-methylpropan-2-amineRefChem:1054493DTXCID8013985015-Benzylthio-3-(2-methylaminopropyl)indoleBRN 0422204INDOLE, 5-BENZYLTHIO-3-(2-METHYLAMINOPROPYL)-
Database identifiers
- CAS
5564-13-6- PubChem CID
- 21726
- DTXSID
DTXSID90970980
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
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Compound notes
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