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1465-16-3 | 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-1-methyl-
CAS No: 1465-16-3 Catalog No: AG001E36 MDL No:
Product Description
Catalog Number:
AG001E36
Chemical Name:
1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-1-methyl-
CAS Number:
1465-16-3
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
3-[2-(dimethylamino)ethyl]-1-methylindol-4-ol
InChI:
InChI=1S/C13H18N2O/c1-14(2)8-7-10-9-15(3)11-5-4-6-12(16)13(10)11/h4-6,9,16H,7-8H2,1-3H3
InChI Key:
MZZRFEIDRWKTKJ-UHFFFAOYSA-N
SMILES:
CN(CCc1cn(c2c1c(O)ccc2)C)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| SAR of psilocybin analogs: discovery of a selective 5-HT 2C agonist. | Bioorganic & medicinal chemistry letters 20051015 |
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