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1233-48-3 | 1H-Indole-3-ethanamine,5-methoxy-N-methyl-N-(phenylmethyl)-
CAS No: 1233-48-3 Catalog No: AG000KB4 MDL No:
Product Description
Catalog Number:
AG000KB4
Chemical Name:
1H-Indole-3-ethanamine,5-methoxy-N-methyl-N-(phenylmethyl)-
CAS Number:
1233-48-3
Molecular Formula:
C19H22N2O
Molecular Weight:
294.3908
IUPAC Name:
N-benzyl-2-(5-methoxy-1H-indol-3-yl)-N-methylethanamine
InChI:
InChI=1S/C19H22N2O/c1-21(14-15-6-4-3-5-7-15)11-10-16-13-20-19-9-8-17(22-2)12-18(16)19/h3-9,12-13,20H,10-11,14H2,1-2H3
InChI Key:
IFRNCHRBJMIVBK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCN(Cc1ccccc1)C)c[nH]2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.398g/mol
Monoisotopic Mass:
294.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Interaction of N1-unsubstituted and N1-benzenesulfonyltryptamines at h5-HT6 receptors. | Bioorganic & medicinal chemistry letters 20061115 |
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