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Home > Other Heterocycles > 36769-07-0
36769-07-0 | 3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CAS No: 36769-07-0 Catalog No: AG01B8FU MDL No:MFCD20668950
Product Description
Catalog Number:
AG01B8FU
Chemical Name:
3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CAS Number:
36769-07-0
Molecular Formula:
C13H15N
Molecular Weight:
185.2649
MDL Number:
MFCD20668950
IUPAC Name:
3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
InChI:
InChI=1S/C13H15N/c1-2-4-10(5-3-1)11-8-12-6-7-13(9-11)14-12/h1-5,8,12-14H,6-7,9H2
InChI Key:
VHBRUQHAUJNUAM-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=CC2NC(C1)CC2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.27g/mol
Monoisotopic Mass:
185.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanes. | Bioorganic & medicinal chemistry letters 20091215 |
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