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CHEBI:151039 - 2-Azabutane, 1-[1-methylazacyclohex-2-yl]-2-methyl-4-[3,4-dichlorophenyl]-

ChEBI IDCHEBI:151039
ChEBI Name2-Azabutane, 1-[1-methylazacyclohex-2-yl]-2-methyl-4-[3,4-dichlorophenyl]-
Stars
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DownloadsMolfile
FormulaC16H24Cl2N2
Net Charge0
Average Mass315.288
Monoisotopic Mass314.13165
SMILESCN(CCc1ccc(Cl)c(Cl)c1)C[C@H]1CCCCN1C
InChIInChI=1S/C16H24Cl2N2/c1-19(12-14-5-3-4-9-20(14)2)10-8-13-6-7-15(17)16(18)11-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m1/s1
InChIKeyBBURUCNUCKNLNA-CQSZACIVSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) cell lysate (BTO:0004304) MetaboLights (MTBLS1079) Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385]
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-Azabutane, 1-[1-methylazacyclohex-2-yl]-2-methyl-4-[3,4-dichlorophenyl]- (CHEBI:151039) is a primary amine (CHEBI:32877)
IUPAC Name 
2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine