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2-[1-[4-(2-Hydroxyethyl)phenoxy]propan-2-ylamino]-1-phenylethanol (HCID 21832201)|Huagongshe
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Compound
2-[1-[4-(2-Hydroxyethyl)phenoxy]propan-2-ylamino]-1-phenylethanol
HCID
21832201
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(COc1ccc(CCO)cc1)NCC(O)c1ccccc1
InChIKey
JSXUBGWMYQAJJL-UHFFFAOYSA-N
Molecular formula
C19H25NO3
Average molar mass
315.4 g/mol
Names & identifiers
Preferred name
2-[1-[4-(2-Hydroxyethyl)phenoxy]propan-2-ylamino]-1-phenylethanol
IUPAC
2-[1-[4-(2-hydroxyethyl)phenoxy]propan-2-ylamino]-1-phenylethanol
Names & synonyms
SCHEMBL8406994
Database identifiers
PubChem CID
21832201
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
61.7 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
23
Formal charge
0
Complexity
299
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Related reactions
1 records
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As product
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As solvent
HRID
97343
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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