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Home > Other Heterocycles > 88550-29-2
88550-29-2 | Phenol,3-[(1R,5S,9R)-2,9-dimethyl-2-azabicyclo[3.3.1]non-5-yl]-, rel-
CAS No: 88550-29-2 Catalog No: AG004CQ3 MDL No:
Product Description
Catalog Number:
AG004CQ3
Chemical Name:
Phenol,3-[(1R,5S,9R)-2,9-dimethyl-2-azabicyclo[3.3.1]non-5-yl]-, rel-
CAS Number:
88550-29-2
Molecular Formula:
C16H23NO
Molecular Weight:
245.3599
IUPAC Name:
3-(2,9-dimethyl-2-azabicyclo[3.3.1]nonan-5-yl)phenol
InChI:
InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3
InChI Key:
JBSRPCWYMOJXAM-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C12CCCC(C2C)N(CC1)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.178g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.366g/mol
Monoisotopic Mass:
245.178g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| 2002 Medicinal Chemistry Division Award address: monoamine transporters and opioid receptors. Targets for addiction therapy. | Journal of medicinal chemistry 20030508 |
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