Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
3-Amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol (HCID 21085589)|Huagongshe
Home
/
Compound
3-Amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
HCID
21085589
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
COc1cccc(CNCC(O)C(N)Cc2cc(F)cc(F)c2)c1
InChIKey
ZBMKGKFXEDEYJZ-UHFFFAOYSA-N
Molecular formula
C18H22F2N2O2
Average molar mass
336.4 g/mol
Names & identifiers
Preferred name
3-Amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
IUPAC
3-amino-4-(3,5-difluorophenyl)-1-[(3-methoxyphenyl)methylamino]butan-2-ol
Names & synonyms
SCHEMBL3355576
Database identifiers
PubChem CID
21085589
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
67.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
24
Formal charge
0
Complexity
352
Show all 8
Show all 8 / 8
Related reactions
5 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
86277
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
699169
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1143678
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1551712
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID
2122576
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Show 1 more
Compound notes
Loading…