2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine

C21H33NO — CID 57278090

IUPAC2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine
SMILESCCC(C)(C)c1ccc(CC(C)=CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H33NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,13,17-18H,7,12,14-15H2,1-6H3
InChIKeyNSCBGWZJDUMGQT-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.93
Rot. Bonds5

About 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine

2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine (PubChem CID 57278090) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine
PubChem CID57278090
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine
SMILESCCC(C)(C)c1ccc(CC(C)=CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H33NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,13,17-18H,7,12,14-15H2,1-6H3
InChIKeyNSCBGWZJDUMGQT-UHFFFAOYSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-enyl]morpholine
CID 57251316
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol
CID 171381608
2,6-dimethyl-4-[2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine
CID 19893186
(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;phosphoric acid;2H-triazole
CID 174932119
2-[[4-(2-methylbutan-2-yl)phenyl]methyl]oxirane
CID 118632856
1-tert-butyl-4-(2-methylpent-2-enyl)benzene
CID 57230599
1-benzyl-4-(2-methylbutan-2-yl)benzene
CID 54402390
1-[4-(2-methylbutan-2-yl)phenyl]-2-phenylethanone
CID 66258775
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methyl-2-phenylpropanal
CID 102936299
(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
CID 70593389
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
4,7,7-trimethyl-1-[2-[4-(2-methylbutan-2-yl)phenyl]acetyl]-2-oxabicyclo[2.2.1]heptan-3-one
CID 71143105

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine (CID 57278090) is 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine is CCC(C)(C)c1ccc(CC(C)=CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine?
The InChIKey is NSCBGWZJDUMGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-7-21(5,6)20-10-8-19(9-11-20)12-16(2)13-22-14-17(3)23-18(4)15-22/h8-11,13,17-18H,7,12,14-15H2,1-6H3.
What are the key properties of 2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine?
2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine has a molecular weight of 315.50 g/mol, XLogP of 4.93, 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-3-[4-(2-methylbutan-2-yl)phenyl]prop-1-enyl]morpholine is sourced from PubChem (CID 57278090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).