2-Methyl-6,7-dichloromelatonin
Basic information
- CAS
104513-29-3- Standard SMILES
COc1cc2c(CCNC(C)=O)c(C)[nH]c2c(Cl)c1Cl- InChIKey
IKEWSFJJQOLSPU-UHFFFAOYSA-N- Molecular formula
- C14H16Cl2N2O2
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.0588831
Overview
more potent than melatonin
Names & identifiers
- Preferred name
- 2-Methyl-6,7-dichloromelatonin
- IUPAC
- N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide
- English name
- N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide
- Molecular formula
- C14H16Cl2N2O2
- Molecular weight
- 315.2
Names & synonyms
104513-29-32-Methyl-6,7-dichloromelatonin2-M-6,7-MelatoninDTXSID90146522RefChem:88198DTXCID3069013N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamideCHEMBL421013SCHEMBL6775756,7-dichloro-2-methylmelatoninBDBM50231291PDSP1_001809
Show more names
Acetamide, N-[2-(6,7-dichloro-5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-
PDSP2_001792
Database identifiers
- CAS
104513-29-3- PubChem CID
- 128592
- DTXSID
DTXSID90146522- ChEMBL
CHEMBL421013
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 567.4 · 567.4±50.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- pka
- 14.98 · 14.98±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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