4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine

C21H35NO2 — CID 54046529

IUPAC4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCOC(c1ccc(C(C)(C)C)cc1)C(C)CN1CC(C)OC(C)C1
InChIInChI=1S/C21H35NO2/c1-15(12-22-13-16(2)24-17(3)14-22)20(23-7)18-8-10-19(11-9-18)21(4,5)6/h8-11,15-17,20H,12-14H2,1-7H3
InChIKeyLPYHXCSVERALAJ-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.42
Rot. Bonds5

About 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine

4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 54046529) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID54046529
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine
SMILESCOC(c1ccc(C(C)(C)C)cc1)C(C)CN1CC(C)OC(C)C1
InChIInChI=1S/C21H35NO2/c1-15(12-22-13-16(2)24-17(3)14-22)20(23-7)18-8-10-19(11-9-18)21(4,5)6/h8-11,15-17,20H,12-14H2,1-7H3
InChIKeyLPYHXCSVERALAJ-UHFFFAOYSA-N
XLogP4.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine (CID 54046529) is 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine is COC(c1ccc(C(C)(C)C)cc1)C(C)CN1CC(C)OC(C)C1.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is LPYHXCSVERALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-15(12-22-13-16(2)24-17(3)14-22)20(23-7)18-8-10-19(11-9-18)21(4,5)6/h8-11,15-17,20H,12-14H2,1-7H3.
What are the key properties of 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine?
4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 333.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)-3-methoxy-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 54046529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).