2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine

C21H35NO — CID 19893186

IUPAC2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
SMILESCCC(C)(C)c1ccc(C(C(C)C)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H35NO/c1-8-21(6,7)19-11-9-18(10-12-19)20(15(2)3)22-13-16(4)23-17(5)14-22/h9-12,15-17,20H,8,13-14H2,1-7H3
InChIKeyWFDVCRASUACJQK-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.18
Rot. Bonds5

About 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine

2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine (PubChem CID 19893186) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
PubChem CID19893186
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
SMILESCCC(C)(C)c1ccc(C(C(C)C)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H35NO/c1-8-21(6,7)19-11-9-18(10-12-19)20(15(2)3)22-13-16(4)23-17(5)14-22/h9-12,15-17,20H,8,13-14H2,1-7H3
InChIKeyWFDVCRASUACJQK-UHFFFAOYSA-N
XLogP5.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine (CID 19893186) is 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine is CCC(C)(C)c1ccc(C(C(C)C)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
The InChIKey is WFDVCRASUACJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-8-21(6,7)19-11-9-18(10-12-19)20(15(2)3)22-13-16(4)23-17(5)14-22/h9-12,15-17,20H,8,13-14H2,1-7H3.
What are the key properties of 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine?
2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine has a molecular weight of 317.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine is sourced from PubChem (CID 19893186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).