(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine

C22H37NO — CID 70415741

IUPAC(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine
SMILESCC[C@@H]1CN(CC(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](CC)O1
InChIInChI=1S/C22H37NO/c1-7-20-15-23(16-21(8-2)24-20)14-17(3)13-18-9-11-19(12-10-18)22(4,5)6/h9-12,17,20-21H,7-8,13-16H2,1-6H3/t17?,20-,21+
InChIKeyUMEUMRWTLJBPRM-PRJVBOEPSA-N
MW331.54 g/mol
LogP5.05
Rot. Bonds6

About (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine

(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine (PubChem CID 70415741) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine
PubChem CID70415741
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine
SMILESCC[C@@H]1CN(CC(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](CC)O1
InChIInChI=1S/C22H37NO/c1-7-20-15-23(16-21(8-2)24-20)14-17(3)13-18-9-11-19(12-10-18)22(4,5)6/h9-12,17,20-21H,7-8,13-16H2,1-6H3/t17?,20-,21+
InChIKeyUMEUMRWTLJBPRM-PRJVBOEPSA-N
XLogP5.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4-methylpiperazine
CID 13251981
(2S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2-methyl-6-methylidenemorpholine
CID 163798698
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5,5-trimethylazepane
CID 3053269
1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine-3-carboxylic acid
CID 122040846
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-4,4-dimethoxypiperidine
CID 70600222
[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenyl]-triethylsilane
CID 13292181
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515
(2R,6S)-2,6-dimethyl-4-[2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propyl]morpholine;phosphoric acid;2H-triazole
CID 174932119
tert-butyl-[4-[3-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]phenoxy]-dimethylsilane
CID 18948836
2,6-dimethyl-4-[2-methyl-3-(4-phenoxyphenyl)propyl]morpholine
CID 14553897
4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 20502162
2-methyl-2-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]propan-1-ol
CID 139596448

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine?
The IUPAC name of (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine (CID 70415741) is (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine?
The canonical SMILES for (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine is CC[C@@H]1CN(CC(C)Cc2ccc(C(C)(C)C)cc2)C[C@H](CC)O1.
What is the InChIKey of (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine?
The InChIKey is UMEUMRWTLJBPRM-PRJVBOEPSA-N. The full InChI is InChI=1S/C22H37NO/c1-7-20-15-23(16-21(8-2)24-20)14-17(3)13-18-9-11-19(12-10-18)22(4,5)6/h9-12,17,20-21H,7-8,13-16H2,1-6H3/t17?,20-,21+.
What are the key properties of (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine?
(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine has a molecular weight of 331.54 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-diethylmorpholine is sourced from PubChem (CID 70415741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).