Home Other Building Blocks 1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine

CAS No.:
23266-24-2
Catalog Number:
AG01C5PY
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
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Product Description
Catalog Number:
AG01C5PY
Chemical Name:
1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CAS Number:
23266-24-2
Molecular Formula:
C11H15N
Molecular Weight:
161.2435
MDL Number:
MFCD20134020
IUPAC Name:
5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C11H15N/c1-9-8-12-7-6-10-4-2-3-5-11(9)10/h2-5,9,12H,6-8H2,1H3
InChI Key:
ZRPYKXHZFPGPRZ-UHFFFAOYSA-N
SMILES:
CC1CNCCc2c1cccc2
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.12g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.248g/mol
Monoisotopic Mass:
161.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Discovery and structure-activity relationship of (1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-benzazepine (Lorcaserin), a selective serotonin 5-HT2C receptor agonist for the treatment of obesity. Journal of medicinal chemistry 20080124
Discovery and SAR of new benzazepines as potent and selective 5-HT(2C) receptor agonists for the treatment of obesity. Bioorganic & medicinal chemistry letters 20050301
Properties