2-Hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]-ethyl]benzeneacetonitrile

HCID 21325152

Basic information

Standard SMILES
CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c(CC#N)c1
InChIKey
PPTIXGLIEJSFPT-UHFFFAOYSA-N
Molecular formula
C20H24N2O3
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
2-Hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]-ethyl]benzeneacetonitrile
IUPAC
2-[2-hydroxy-5-[1-hydroxy-2-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]ethyl]phenyl]acetonitrile

Names & synonyms

SCHEMBL11547951PPTIXGLIEJSFPT-UHFFFAOYSA-N2-hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]-ethyl]benzeneacetonitrile2-hydroxy-5-[1-hydroxy-2-[(1,1-dimethyl-2-p-hydroxyphenylethyl)amino]ethyl]benzeneacetonitrile

Database identifiers

PubChem CID
21325152

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
96.5 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
25

Related reactions

3 records

Compound notes

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