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2-Methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol

HCID 175682
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(CO)(CO)NCc1ccc2c3ccccc3c3ccccc3c2c1
InChIKey
JKWATNMPEICJJM-UHFFFAOYSA-N
Molecular formula
C23H23NO2
Average molar mass
345.4 g/mol

Names & identifiers

Preferred name
2-Methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol
IUPAC
2-methyl-2-(triphenylen-2-ylmethylamino)propane-1,3-diol

Names & synonyms

CHEMBL1196556SCHEMBL10682965

Database identifiers

PubChem CID
175682
ChEMBL
CHEMBL1196556
Nikkaji
J423.662I

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
52.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
26
Formal charge
0
Complexity
463

Related reactions

1 records
New reaction record
HRID 297182 reaction equation
HRID 297182As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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