General
Preferred name
DL-α-Methylbenzylamine
Synonyms
1-Phenylethanamine ()
DL-¦Á-Methylbenzylamine ()
1-Phenylethylamine (hydrochloride) ()
P&D ID
PD124031
CAS
618-36-0
2627-86-3
3886-69-9
20938-48-1
13437-79-1
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
1-Phenylethanamine is a potential central nervous system stimulant and a related compound of ¦Â-phenylethylamine. Due to the replacement of its benzene ring with an indole group, its brain glycogenolytic activity is significantly reduced. Therefore, 1-Phenylethanamine can be used to study the impact of the chemical structure of phenylethylamine derivatives on central nervous system activity. In addition, 1-Phenylethanamine can also be used to synthesize the tyrosine kinase (tyrosine kinase) inhibitor CLM3 (HY-164413)[1][2].
[[ p.pathway_name ]]
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Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
41
Molecular Weight
121.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.71
TPSA
26.02
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Pathway
Metabolic Enzyme/Protease
Source data
