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Ethyl 3-[4-[2-methyl-5-(methylamino)phenyl]phenyl]prop-2-enoate

HCID 77257572
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)C=Cc1ccc(-c2cc(NC)ccc2C)cc1
InChIKey
YNSGLAXKRCYNEP-UHFFFAOYSA-N
Molecular formula
C19H21NO2
Average molar mass
295.4 g/mol

Names & identifiers

Preferred name
Ethyl 3-[4-[2-methyl-5-(methylamino)phenyl]phenyl]prop-2-enoate
IUPAC
ethyl 3-[4-[2-methyl-5-(methylamino)phenyl]phenyl]prop-2-enoate

Database identifiers

PubChem CID
77257572

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
372

Related reactions

1 records
New reaction record
HRID 956807 reaction equation
HRID 956807As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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