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1218-40-2 | 1H-Indole-3-ethanamine, N,N-diethyl-5-methoxy-
CAS No: 1218-40-2 Catalog No: AG001625 MDL No:
Product Description
Catalog Number:
AG001625
Chemical Name:
1H-Indole-3-ethanamine, N,N-diethyl-5-methoxy-
CAS Number:
1218-40-2
Molecular Formula:
C15H22N2O
Molecular Weight:
246.3480
IUPAC Name:
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)ethanamine
InChI:
InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChI Key:
KGDVJQQWCDDEPP-UHFFFAOYSA-N
SMILES:
CCN(CCc1c[nH]c2c1cc(OC)cc2)CC
UNII:
52HU7LM8HL
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.173g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.354g/mol
Monoisotopic Mass:
246.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Effect of ring fluorination on the pharmacology of hallucinogenic tryptamines. | Journal of medicinal chemistry 20001130 |
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