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127165-18-8 | 2-Naphthalenamine, 1,2,3,4-tetrahydro-8-methoxy-, (2R)-
CAS No: 127165-18-8 Catalog No: AG000WQJ MDL No:
Product Description
Catalog Number:
AG000WQJ
Chemical Name:
2-Naphthalenamine, 1,2,3,4-tetrahydro-8-methoxy-, (2R)-
CAS Number:
127165-18-8
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
(2R)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
InChI:
InChI=1S/C11H15NO/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4,9H,5-7,12H2,1H3/t9-/m1/s1
InChI Key:
RVKOHSCTEHZRRT-SECBINFHSA-N
SMILES:
COc1cccc2c1C[C@H](N)CC2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Characterization of the 5-HT(7) receptor. Determination of the pharmacophore for 5-HT(7) receptor agonism and CoMFA-based modeling of the agonist binding site. | Journal of medicinal chemistry 20031204 |
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