(2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol

C13H19NO2 — CID 46837647

IUPAC(2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol
SMILESC[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H19NO2/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/t10-,13+/m0/s1
InChIKeyNGHJSSNVKXEBAB-GXFFZTMASA-N
MW221.30 g/mol
LogP1.62
Rot. Bonds1

About (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol

(2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol (PubChem CID 46837647) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol.

Molecular Properties

Compound Name(2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol
PubChem CID46837647
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol
SMILESC[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1
InChIInChI=1S/C13H19NO2/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/t10-,13+/m0/s1
InChIKeyNGHJSSNVKXEBAB-GXFFZTMASA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol?
The IUPAC name of (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol (CID 46837647) is (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol.
What is the SMILES notation for (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol?
The canonical SMILES for (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol is C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1.
What is the InChIKey of (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol?
The InChIKey is NGHJSSNVKXEBAB-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19NO2/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/t10-,13+/m0/s1.
What are the key properties of (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol?
(2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol has a molecular weight of 221.30 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3,5,5-trimethyl-2-phenylmorpholin-2-ol is sourced from PubChem (CID 46837647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).