2-[Methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol

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Basic information

CAS: 518031-74-8
Standard SMILES: CN(CCO)CCOCCOc1cccc2ccccc12
InChIKey: RTKIKFKAHJNQDP-UHFFFAOYSA-N
Molecular formula: C17H23NO3
Average molar mass: 289.4 g/mol
Monoisotopic mass: 289.1677936

Names & identifiers

Preferred name: 2-[Methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol
IUPAC: 2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanol

Names & synonyms

2-[methyl-[2-(2-naphthalen-1-yloxyethoxy)ethyl]amino]ethanolMLS000760300CHEMBL1405873DTXSID201333519HMS2774N14AKOS034463360518031-74-8SMR000373017SR-01000039041SR-01000039041-1Z568789572-[Methyl(2-{2-[(naphthalen-1-yl)oxy]ethoxy}ethyl)amino]ethan-1-ol

Database identifiers

CAS: 518031-74-8
PubChem CID: 5226785
DTXSID: DTXSID201333519
ChEMBL: CHEMBL1405873

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 275

Experimental & physicochemical properties

Solubility34.6 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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