N,N-dimethyl-N-(2-methylbenzyl)-1-(o-tolyl)methanaminium | SBID = 2472 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 0.0
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 4.0
Charge: 1.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H24N+
M / g/mol: 254.38986
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: N,N-dimethyl-N-(2-methylbenzyl)-1-(o-tolyl)methanaminium
  • Preferred Abbreviation: N,N-dimethyl-N-(2-methylbenzyl)-1-(o-tolyl)methanaminium
  • IUPAC Name:
  • CAS:
  • CID: -1065
  • InChiKey: WAMRLPUGGDPZHT-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H24N/c1-15-9-5-7-11-17(15)13-19(3,4)14-18-12-8-6-10-16(18)2/h5-12H,13-14H2,1-4H3/q+1
  • CanoSmiles: Cc1ccccc1C[N+](Cc1ccccc1C)(C)C
  • IsoSmiles: CC1=C(C[N+](C)(C)CC2=CC=CC=C2C)C=CC=C1