(2S,3S)-2-(Diphenylmethyl)-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Base Information

• Chemical Name: (2S,3S)-2-(Diphenylmethyl)-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
• CAS No.: 147116-65-2
• Molecular Formula: C30H36N2O
• DSSTox Substance ID: DTXSID301117740
• Mol file: 147116-65-2.mol

Synonyms:SCHEMBL4918192;DTXSID301117740;(2S,3S)-2-(Diphenylmethyl)-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;147116-65-2

Chemical Property of (2S,3S)-2-(Diphenylmethyl)-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine

Chemical Property:

• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 440.282763776
• Heavy Atom Count: 33
• Complexity: 558

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MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1)OC)CNC2C3CCN(C2C(C4=CC=CC=C4)C5=CC=CC=C5)CC3
• Isomeric SMILES: CCC1=CC(=C(C=C1)OC)CN[C@@H]2[C@@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

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