4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol

C17H28N2O2 — CID 104961356

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14-11-19(12-15(2)21-14)10-9-17(13-20,18-3)16-7-5-4-6-8-16/h4-8,14-15,18,20H,9-13H2,1-3H3/t14-,15+,17?
InChIKeyVJNYZKJDUXWUGR-FKEKPDDDSA-N
MW292.42 g/mol
LogP1.59
Rot. Bonds6

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 104961356) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID104961356
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1
InChIInChI=1S/C17H28N2O2/c1-14-11-19(12-15(2)21-14)10-9-17(13-20,18-3)16-7-5-4-6-8-16/h4-8,14-15,18,20H,9-13H2,1-3H3/t14-,15+,17?
InChIKeyVJNYZKJDUXWUGR-FKEKPDDDSA-N
XLogP1.59
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol (CID 104961356) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol is CNC(CO)(CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is VJNYZKJDUXWUGR-FKEKPDDDSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-14-11-19(12-15(2)21-14)10-9-17(13-20,18-3)16-7-5-4-6-8-16/h4-8,14-15,18,20H,9-13H2,1-3H3/t14-,15+,17?.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 292.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 104961356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).