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3-Chloro-4'-[2-(diethylamino)-ethoxy]-alpha-ethyl-benzhydrol

HCID 20239559
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)CCOc1ccc(C(O)(CC)c2cccc(Cl)c2)cc1
InChIKey
LAMURBDRQWUOHK-UHFFFAOYSA-N
Molecular formula
C21H28ClNO2
Average molar mass
361.9 g/mol

Names & identifiers

Preferred name
3-Chloro-4'-[2-(diethylamino)-ethoxy]-alpha-ethyl-benzhydrol
IUPAC
1-(3-chlorophenyl)-1-[4-[2-(diethylamino)ethoxy]phenyl]propan-1-ol

Names & synonyms

SCHEMBL10878610LAMURBDRQWUOHK-UHFFFAOYSA-N3-Chloro-4'-[2-(diethylamino)-ethoxy]-alpha-ethyl-benzhydrol

Database identifiers

PubChem CID
20239559

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
32.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
369

Related reactions

2 records
New reaction record
HRID 364650 reaction equation
HRID 364650As productuspto-grants-1986_08
HRID 1206238 reaction equation
HRID 1206238As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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