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CHEBI:167708 - 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol

ChEBI IDCHEBI:167708
ChEBI Name2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
Stars
DefinitionAn aminoalcohol that is benzene substituted by a 3-amino-3-(hydroxymethyl)-4-methoxybutyl group at position 1 and an octyl group at position 4.
Last Modified23 March 2021
SubmitterAdnan
DownloadsMolfile
FormulaC20H35NO2
Net Charge0
Average Mass321.505
Monoisotopic Mass321.26678
SMILESCCCCCCCCc1ccc(CCC(N)(CO)COC)cc1
InChIInChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3
InChIKeyYEYZALQTJCVXIJ-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)
2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708) has functional parent fingolimod (CHEBI:63115)
2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708) is a amino alcohol (CHEBI:22478)
2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708) is a benzenes (CHEBI:22712)
2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708) is a ether (CHEBI:25698)
2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708) is a primary amino compound (CHEBI:50994)
Incoming Relation(s)
(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167668) is a 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708)
IUPAC Name 
2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
Synonyms  Source
FTY720 methyl etherChEBI
FTY720-OMeChEBI