• 
  [Synonyms]
  LS-103811
  p-Cymene, 5-(2-(dimethylamino)ethoxy)-2-nitro-, hydrochloride
  beta-(N,N-Dimethylamino)-2-isopropyl-5-methyl-4-nitrophenetole hydrochloride
  Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride
  16809-64-6
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	302.79702 [g/mol]
  Molecular Formula	C14H23ClN2O3
  H-Bond Donor	1
  H-Bond Acceptor	4
  Rotatable Bond Count	5
  Exact Mass	302.13972
  MonoIsotopic Mass	302.13972
  Topological Polar Surface Area	55.6
  Heavy Atom Count	20
  Formal Charge	0
  Complexity	289
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	2

  
  [ Descriptors Computed from Structure]
  IUPAC Name: N,N-dimethyl-2-(5-methyl-4-nitro-2-propan-2-ylphenoxy)ethanamine
  hydrochloride
  Canonical SMILES: CC1=C(C=C(C(=C1)OCCN(C)C)C(C)C)[N+](=O)[O-].Cl
  InChI: InChI=1/C14H22N2O3.ClH/c1-10(2)12-9-13(16(17)18)11(3)8-14(12)19-7-6-15
  (4)5;/h8-10H,6-7H2,1-5H3;1H