CHEBI:139161 - 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+)
ChEBI ID CHEBI:139161
ChEBI ASCII Name 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+)
Definition An ammonium ion obtained by protonation of the amino group of 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine. The major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H22NO2
Net Charge +1
Average Mass 236.331
Monoisotopic Mass 236.16451
InChI InChI=1S/C14H21NO2/c1-14(10-17-11-14)9-15(2)8-12-4-6-13(16-3)7-5-12/h4-7H,8-11H2,1-3H3/p+1
InChIKey PHGMVEPLTMCGOB-UHFFFAOYSA-O
SMILES C([NH+](C)CC1(C)COC1)C2=CC=C(C=C2)OC
ChEBI Ontology
Outgoing 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+) (CHEBI:139161) is a ammonium ion derivative (CHEBI:35274)
1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+) (CHEBI:139161) is conjugate acid of 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine (CHEBI:139160)
Incoming 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine (CHEBI:139160) is conjugate base of 1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine(1+) (CHEBI:139161)
IUPAC Name
(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanaminium
Synonym Source
1-(4-methoxyphenyl)-N-methyl-N-[(3-methyloxetan-3-yl)methyl]methanamine UniProt
Citation Waiting for Citations Type Source
28600384 PubMed citation Europe PMC
Last Modified
30 November 2017
General Comment
2017-11-28 See Drug Metabolism and Disposition 2017, 45(8) 966-973. DOI: https://doi.org/10.1124/dmd.117.076489