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149488-99-3 | Benzeneethanamine, 5-bromo-2-methoxy-
CAS No: 149488-99-3 Catalog No: AG001LQU MDL No:MFCD00060616
Product Description
Catalog Number:
AG001LQU
Chemical Name:
Benzeneethanamine, 5-bromo-2-methoxy-
CAS Number:
149488-99-3
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD00060616
IUPAC Name:
2-(5-bromo-2-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H12BrNO/c1-12-9-3-2-8(10)6-7(9)4-5-11/h2-3,6H,4-5,11H2,1H3
InChI Key:
VYKUQILPLBAETB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCN)Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| 1-[2-methoxy-5-(3-phenylpropyl)]-2-aminopropane unexpectedly shows 5-HT(2A) serotonin receptor affinity and antagonist character. | Journal of medicinal chemistry 20010927 |
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