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155681-48-4 | 1-AZABICYCLO[2.2.2]OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-(PHENYLMETHYL)-, (2S,3S)-
CAS No: 155681-48-4 Catalog No: AG001O43 MDL No:
Product Description
Catalog Number:
AG001O43
Chemical Name:
1-AZABICYCLO[2.2.2]OCTAN-3-AMINE, 2-(DIPHENYLMETHYL)-N-(PHENYLMETHYL)-, (2S,3S)-
CAS Number:
155681-48-4
Molecular Formula:
C27H30N2
Molecular Weight:
382.5405
IUPAC Name:
(2S,3S)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
InChI:
InChI=1S/C27H30N2/c1-4-10-21(11-5-1)20-28-26-24-16-18-29(19-17-24)27(26)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15,24-28H,16-20H2/t26-,27-/m0/s1
InChI Key:
SVHVLAGNGAWUQU-SVBPBHIXSA-N
SMILES:
c1ccc(cc1)CN[C@H]1C2CCN([C@H]1C(c1ccccc1)c1ccccc1)CC2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
382.241g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.551g/mol
Monoisotopic Mass:
382.241g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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