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CHEBI:75722 - 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol

Default Structure
ChEBI IDCHEBI:75722
ChEBI Name2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol
Stars
DefinitionA tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively.
Last Modified13 January 2014
SubmitterSteve
DownloadsMolfile
FormulaC16H25NO2
Net Charge0
Average Mass263.381
Monoisotopic Mass263.18853
SMILESCOc1cccc(C2(O)CCCCC2CN(C)C)c1
InChIInChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3
InChIKeyTVYLLZQTGLZFBW-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-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol (CHEBI:75722) has functional parent cyclohexanol (CHEBI:18099)
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol (CHEBI:75722) is a aromatic ether (CHEBI:35618)
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol (CHEBI:75722) is a tertiary alcohol (CHEBI:26878)
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol (CHEBI:75722) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
(R,R)-tramadol (CHEBI:75725) is a 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol (CHEBI:75722)
(S,S)-tramadol (CHEBI:75731) is a 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol (CHEBI:75722)
IUPAC Name 
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol
Registry NumbersSources
CAS:2914-77-4ChemIDplus