4-(Benzyloxy)-3-[(dimethylamino)methyl]-5-methoxyindole - CAS 2433-36-5
Catalog: |
BB073565 |
Product Name: |
4-(Benzyloxy)-3-[(dimethylamino)methyl]-5-methoxyindole |
CAS: |
2433-36-5 |
Synonyms: |
5-Methoxy-N,N-dimethyl-4-(phenylmethoxy)-1H-indole-3-methanamine |
IUPAC Name: | 1-(5-methoxy-4-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylmethanamine |
Description: | 4-(Benzyloxy)-3-[(dimethylamino)methyl]-5-methoxyindole is an intermediate in the synthesis of 4-Hydroxymelatonin (H944635), a metabolite of Melatonin (M215000), a hormone found in animals that regulates sleep cycle. |
Molecular Weight: | 310.39 |
Molecular Formula: | C19H22N2O2 |
Canonical SMILES: | CN(C)CC1=CNC2=C1C(=C(C=C2)OC)OCC3=CC=CC=C3 |
InChI: | InChI=1S/C19H22N2O2/c1-21(2)12-15-11-20-16-9-10-17(22-3)19(18(15)16)23-13-14-7-5-4-6-8-14/h4-11,20H,12-13H2,1-3H3 |
InChI Key: | KMGZCSJZUKNQJR-UHFFFAOYSA-N |
Solubility: | DCM, Ether, Ethyl Acetate, Methanol |
Appearance: | Light Brown Solid |
References: | Rajagopalan, P., et al. Tetrahedron. Lett., 26, 2197 (1965). |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.168127949 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 37.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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