Chem
J-GLOBAL ID:200907049592545909   Nikkaji number:J1.126.085C

(1α,5α)-6,6-Dimethyl-2-[(ethylphenylamino)methyl]bicyclo[3.1.1]heptane-2α,3α-diol

(1α,5α)-6,6-ジメチル-2-[(エチルフェニルアミノ)メチル]ビシクロ[3.1.1]ヘプタン-2α,3α-ジオール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C18H27NO2
Molecular formula furigana: C18-H27-N-O2
Molecular weight: 289.419
InChI: InChI=1S/C18H27NO2/c1-4-19(14-8-6-5-7-9-14)12-18(21)15-10-13(11-16(18)20)17(15,2)3/h5-9,13,15-16,20-21H,4,10-12H2,1-3H3/t13-,15-,16+,18-/m0/s1
InChI key: GCNGQEKPFQDWSZ-SCNOPHJPSA-N
SMILES: CCN(C[C@]1(O)[C@H]2C[C@@H](C[C@H]1O)C2(C)C)c1ccccc1
Systematic name  (3):
  • (1α,5α)-6,6-ジメチル-2-[(エチルフェニルアミノ)メチル]ビシクロ[3.1.1]ヘプタン-2α,3α-ジオール
  • (1S,2R,3R,5S)-2-{[エチル(フェニル)アミノ]メチル}-6,6-ジメチルビシクロ[3.1.1]ヘプタン-2,3-ジオール
  • (1S,2R,3R,5S)-2-{[ethyl(phenyl)amino]methyl}-6,6-dimethylbicyclo[3.1.1]heptane-2,3-diol
Other name (1):
  • (1α,5α)-6,6-Dimethyl-2-[(ethylphenylamino)methyl]bicyclo[3.1.1]heptane-2α,3α-diol
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