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5-(Dimethylamino)-3-hydroxy-1-phenyl-1-pentene

HCID 54514102
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)CCC(O)C=Cc1ccccc1
InChIKey
YLEPRTMFJWBVLZ-UHFFFAOYSA-N
Molecular formula
C13H19NO
Average molar mass
205.3 g/mol

Names & identifiers

Preferred name
5-(Dimethylamino)-3-hydroxy-1-phenyl-1-pentene
IUPAC
5-(dimethylamino)-1-phenylpent-1-en-3-ol

Names & synonyms

SCHEMBL8383905YLEPRTMFJWBVLZ-UHFFFAOYSA-N5-(Dimethylamino)-3-hydroxy-1-phenyl-1-pentene

Database identifiers

PubChem CID
54514102

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
23.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
183

Related reactions

2 records
New reaction record
HRID 46492 reaction equation
HRID 46492As productuspto-grants-1979_11
HRID 94423 reaction equation
HRID 94423As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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