(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine

C17H27NO3 — CID 99640572

IUPAC(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
SMILESCOC(CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C)OC
InChIInChI=1S/C17H27NO3/c1-12-6-7-13(2)15(8-12)16-9-18(14(3)11-21-16)10-17(19-4)20-5/h6-8,14,16-17H,9-11H2,1-5H3/t14-,16+/m1/s1
InChIKeyJOKFSXPBHNEGLX-ZBFHGGJFSA-N
MW293.41 g/mol
LogP2.68
Rot. Bonds5

About (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine

(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine (PubChem CID 99640572) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine.

Molecular Properties

Compound Name(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
PubChem CID99640572
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
SMILESCOC(CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C)OC
InChIInChI=1S/C17H27NO3/c1-12-6-7-13(2)15(8-12)16-9-18(14(3)11-21-16)10-17(19-4)20-5/h6-8,14,16-17H,9-11H2,1-5H3/t14-,16+/m1/s1
InChIKeyJOKFSXPBHNEGLX-ZBFHGGJFSA-N
XLogP2.68
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine?
The IUPAC name of (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine (CID 99640572) is (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine.
What is the SMILES notation for (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine?
The canonical SMILES for (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine is COC(CN1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C)OC.
What is the InChIKey of (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine?
The InChIKey is JOKFSXPBHNEGLX-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12-6-7-13(2)15(8-12)16-9-18(14(3)11-21-16)10-17(19-4)20-5/h6-8,14,16-17H,9-11H2,1-5H3/t14-,16+/m1/s1.
What are the key properties of (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine?
(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine has a molecular weight of 293.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine is sourced from PubChem (CID 99640572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).