(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine

C17H27NO — CID 129268317

IUPAC(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
SMILESCc1cc(C(C)(C)C)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27NO/c1-12-9-15(17(4,5)6)7-8-16(12)18-10-13(2)19-14(3)11-18/h7-9,13-14H,10-11H2,1-6H3/t13-,14+
InChIKeyCRDJJAIVMZWNMZ-OKILXGFUSA-N
MW261.41 g/mol
LogP3.91
Rot. Bonds1

About (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine

(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine (PubChem CID 129268317) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
PubChem CID129268317
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine
SMILESCc1cc(C(C)(C)C)ccc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27NO/c1-12-9-15(17(4,5)6)7-8-16(12)18-10-13(2)19-14(3)11-18/h7-9,13-14H,10-11H2,1-6H3/t13-,14+
InChIKeyCRDJJAIVMZWNMZ-OKILXGFUSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,6S)-4-(4-tert-butyl-2-chlorophenyl)-2,6-dimethylmorpholine
CID 129268171
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]propan-2-amine
CID 104961314
2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzaldehyde
CID 18455608
4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
CID 54933167
(2S,6R)-4-[4-(7-tert-butylsulfonylheptyl)-2-methylphenyl]-2,6-dimethylmorpholine
CID 59546175
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
(2R,5S)-1-(4-tert-butyl-2-methylphenyl)-2,4,5-trimethylpiperazine
CID 168755973
2,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
CID 3911191
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998
5-chloro-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]aniline
CID 28820003
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]morpholine
CID 171714626
[4-[4-[(cyclopropylamino)methyl]-2-methylphenyl]-6-methylmorpholin-2-yl]methanol
CID 102933693

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine (CID 129268317) is (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine is Cc1cc(C(C)(C)C)ccc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine?
The InChIKey is CRDJJAIVMZWNMZ-OKILXGFUSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-9-15(17(4,5)6)7-8-16(12)18-10-13(2)19-14(3)11-18/h7-9,13-14H,10-11H2,1-6H3/t13-,14+.
What are the key properties of (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine?
(2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine has a molecular weight of 261.41 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4-tert-butyl-2-methylphenyl)-2,6-dimethylmorpholine is sourced from PubChem (CID 129268317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).