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tert-butyl N-[[4-[3-(1-aminoethyl)phenyl]morpholin-2-yl]methyl]carbamate (HCID 20744381)|Huagongshe
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Compound
tert-butyl N-[[4-[3-(1-aminoethyl)phenyl]morpholin-2-yl]methyl]carbamate
HCID
20744381
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(N)c1cccc(N2CCOC(CNC(=O)OC(C)(C)C)C2)c1
InChIKey
LBBVYMOYCNDJAL-UHFFFAOYSA-N
Molecular formula
C18H29N3O3
Average molar mass
335.4 g/mol
Names & identifiers
Preferred name
tert-butyl N-[[4-[3-(1-aminoethyl)phenyl]morpholin-2-yl]methyl]carbamate
IUPAC
tert-butyl N-[[4-[3-(1-aminoethyl)phenyl]morpholin-2-yl]methyl]carbamate
Names & synonyms
SCHEMBL6648879
Database identifiers
PubChem CID
20744381
Properties
Computed structural properties
XLogP
1.7
Topological polar surface area
76.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
24
Formal charge
0
Complexity
411
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
103580
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
316786
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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