Basic information
- CAS
5388-85-2- Standard SMILES
Clc1ccccc1OCCNC1CC1- InChIKey
MUWKAPGYHBLRER-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.0763918
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Lilly 51641
- IUPAC
- N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine
- English name
- Lilly 51641
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
Lilly 516415388-85-2Lilly-51641N-(2-(2-Chlorophenoxy)ethyl)cyclopropylamineI3N035VL1XLY 51641LY-51641DTXSID30202136Cyclopropanamine, N-(2-(2-chlorophenoxy)ethyl)-RefChem:153450DTXCID30124627N-[2-(2-chlorophenoxy)ethyl]cyclopropanamine
Show more names
[2-(2-Chloro-phenoxy)-ethyl]-cyclopropyl-amineCyclopropanamine, N-(2-(o-chlorophenoxy)ethyl)-
N-(2-(2-chlorophenoxy)ethyl)cyclopropanamineUNII-I3N035VL1Xstarbld0006243N-(2-(o-Chlorophenoxy)ethyl)cyclopropylamineN-((beta-Chlorophenoxy)ethyl)cyclopropylamineorb1702007SCHEMBL3861777AKOS005260989
Database identifiers
- CAS
5388-85-2- PubChem CID
- 21486
- DTXSID
DTXSID30202136- UNII
- I3N035VL1X
- Nikkaji
- J215.724A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Boiling point
- 323.8 · 323.8±22.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- 7.72 · 7.72±0.20(Predicted)
- FDA UNII
- 3 N035VL1X · I3N035VL1X
Chemistry & industry
Applications
UsesLilly 51641 (LY-51641) is a selective and orally active Type A monoamine oxidase inhibitor. Lilly 51641 has the potential for the research of depressed and schizophrenic[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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