2-Methyl-2-(phenanthren-9-ylmethylamino)propane-1,3-diol

HCID 150418
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(CO)(CO)NCc1cc2ccccc2c2ccccc12
InChIKey
PBIHNSRRIKSORF-UHFFFAOYSA-N
Molecular formula
C19H21NO2
Average molar mass
295.4 g/mol

Names & identifiers

Preferred name
2-Methyl-2-(phenanthren-9-ylmethylamino)propane-1,3-diol
IUPAC
2-methyl-2-(phenanthren-9-ylmethylamino)propane-1,3-diol

Names & synonyms

CHEMBL1193360SCHEMBL10545553

Database identifiers

PubChem CID
150418
ChEMBL
CHEMBL1193360
Nikkaji
J423.646G

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
52.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
22

Related reactions

1 records
New reaction record

Compound notes

Loading…