(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine

C24H39NO — CID 173408171

IUPAC(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C(Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C24H39NO/c1-18-16-25(17-19(2)26-18)23(21-9-7-6-8-10-21)15-20-11-13-22(14-12-20)24(3,4)5/h11-14,18-19,21,23H,6-10,15-17H2,1-5H3/t18-,19+,23?
InChIKeyFKHPABJPKJXDOQ-LIMIJEPZSA-N
MW357.58 g/mol
LogP5.58
Rot. Bonds4

About (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine

(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine (PubChem CID 173408171) has the molecular formula C24H39NO and a molecular weight of 357.58 g/mol. Its IUPAC name is (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine
PubChem CID173408171
Molecular FormulaC24H39NO
Molecular Weight357.58 g/mol
Exact Mass357.30
IUPAC Name(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(C(Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)C[C@H](C)O1
InChIInChI=1S/C24H39NO/c1-18-16-25(17-19(2)26-18)23(21-9-7-6-8-10-21)15-20-11-13-22(14-12-20)24(3,4)5/h11-14,18-19,21,23H,6-10,15-17H2,1-5H3/t18-,19+,23?
InChIKeyFKHPABJPKJXDOQ-LIMIJEPZSA-N
XLogP5.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.58
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(4-tert-butylphenyl)methyl-cyclohexyl-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-methylsilane
CID 54109504
2-(4-tert-butylphenyl)-1-cyclohexylethanamine
CID 63411930
[2-(4-tert-butylphenyl)-1-cyclohexyl-1-(2,6-dimethylmorpholin-4-yl)ethyl]silane
CID 123435302
3-(4-tert-butylphenyl)-2-cyclopentylpropan-1-amine
CID 112569630
2-(4-tert-butylphenyl)-1-cyclohexyl-N-ethylethanamine
CID 63413965
4-[[2-[1-(4-tert-butylphenyl)propan-2-yl]-1,2-oxazolidin-5-yl]methyl]-2,6-dimethylmorpholine
CID 14181051
4-[3-[4-(cyclohexylmethyl)phenyl]-2-methylpropyl]-2,6-dimethylmorpholine
CID 20502162
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
2-(4-tert-butylphenyl)-1-cyclopropylethanol
CID 62608769
2-(4-tert-butylphenyl)-1-(oxan-3-yl)ethanamine
CID 65331958
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
4-[2-[5-(4-tert-butylphenyl)indazol-1-yl]-2-cyclohexylethyl]benzoic acid
CID 134304186

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine (CID 173408171) is (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine is C[C@@H]1CN(C(Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine?
The InChIKey is FKHPABJPKJXDOQ-LIMIJEPZSA-N. The full InChI is InChI=1S/C24H39NO/c1-18-16-25(17-19(2)26-18)23(21-9-7-6-8-10-21)15-20-11-13-22(14-12-20)24(3,4)5/h11-14,18-19,21,23H,6-10,15-17H2,1-5H3/t18-,19+,23?.
What are the key properties of (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine has a molecular weight of 357.58 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[2-(4-tert-butylphenyl)-1-cyclohexylethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 173408171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).