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CHEBI:82647 - 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol

ChEBI IDCHEBI:82647
ChEBI Name4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol
Stars
DefinitionA secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.
Last Modified5 October 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H23NO3
Net Charge0
Average Mass301.386
Monoisotopic Mass301.16779
SMILESCC(CCc1ccc(O)cc1)NCC(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3
InChIKeyYJQZYXCXBBCEAQ-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-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647) is a benzyl alcohols (CHEBI:22743)
4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647) is a polyphenol (CHEBI:26195)
4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647) is a secondary alcohol (CHEBI:35681)
4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
ent-butopamine (CHEBI:82649) is a 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647)
4-[(1R)-1-hydroxy-2-{[(2S)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl]phenol (CHEBI:82653) is a 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647)
4-[(1S)-1-hydroxy-2-{[(2R)-4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl]phenol (CHEBI:82652) is a 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647)
butopamine (CHEBI:82648) is a 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol (CHEBI:82647)
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