CHEBI:91775 - 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol

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ChEBI Name 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
ChEBI ID CHEBI:91775
Definition A secondary amino compound that is 4-(2-amino-1-hydroxypropyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 2-(4-hydroxyphenyl)ethyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H21NO3
Net Charge 0
Average Mass 287.359
Monoisotopic Mass 287.15214
InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3
InChIKey IOVGROKTTNBUGK-UHFFFAOYSA-N
SMILES CC(NCCC1=CC=C(O)C=C1)C(O)C1=CC=C(O)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol (CHEBI:91775) is a benzyl alcohols (CHEBI:22743)
4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol (CHEBI:91775) is a polyphenol (CHEBI:26195)
4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol (CHEBI:91775) is a secondary alcohol (CHEBI:35681)
4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol (CHEBI:91775) is a secondary amino compound (CHEBI:50995)
Incoming (1R,2S)-ritodrine (CHEBI:156576) is a 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol (CHEBI:91775)
(1S,2R)-ritodrine (CHEBI:156577) is a 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol (CHEBI:91775)
IUPAC Name
4-(1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl)phenol
Manual Xref Database
LSM-1664 LINCS
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Last Modified
05 October 2020
General Comment
2020-10-05 This is the entry for material with undefined stereochemistry. There are separate entries for the racemate (ritodrine) and its individual enantiomers.