EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:91775
ChEBI Name4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
Stars
DefinitionA 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.
Last Modified5 October 2020
DownloadsMolfile
FormulaC17H21NO3
Net Charge0
Average Mass287.359
Monoisotopic Mass287.15214
SMILESCC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1
InChIInChI=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
InChIKeyIOVGROKTTNBUGK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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 XrefsDatabases
LSM-1664LINCS