(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride

C13H20ClNO2 — CID 24840370

IUPAC(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride
SMILESC[C@H]1NC(C)(C)CO[C@]1(O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10;/h4-8,10,14-15H,9H2,1-3H3;1H/t10-,13+;/m1./s1
InChIKeyLXSYQDQLISMGBD-HTKOBJQYSA-N
MW257.76 g/mol
LogP2.04
Rot. Bonds1

About (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride

(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride (PubChem CID 24840370) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride
PubChem CID24840370
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC Name(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride
SMILESC[C@H]1NC(C)(C)CO[C@]1(O)c1ccccc1.Cl
InChIInChI=1S/C13H19NO2.ClH/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10;/h4-8,10,14-15H,9H2,1-3H3;1H/t10-,13+;/m1./s1
InChIKeyLXSYQDQLISMGBD-HTKOBJQYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride (CID 24840370) is (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride is C[C@H]1NC(C)(C)CO[C@]1(O)c1ccccc1.Cl.
What is the InChIKey of (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride?
The InChIKey is LXSYQDQLISMGBD-HTKOBJQYSA-N. The full InChI is InChI=1S/C13H19NO2.ClH/c1-10-13(15,11-7-5-4-6-8-11)16-9-12(2,3)14-10;/h4-8,10,14-15H,9H2,1-3H3;1H/t10-,13+;/m1./s1.
What are the key properties of (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride?
(2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3,5,5-trimethyl-2-phenylmorpholin-2-ol;hydrochloride is sourced from PubChem (CID 24840370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).