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

C20H33NO — CID 11833620

IUPAC(2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESC[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1
InChIKeyRYAUSSKQMZRMAI-YESZJQIVSA-N
MW303.49 g/mol
LogP4.27
Rot. Bonds4

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

(2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine (PubChem CID 11833620) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
PubChem CID11833620
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
SMILESC[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1
InChIKeyRYAUSSKQMZRMAI-YESZJQIVSA-N
XLogP4.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenpropimorph
CID 93365
Fenpropidin
CID 91694
Amorolfine
CID 54260
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
CID 91695
Amorolfine hydrochloride
CID 54259
1-[3-(4-Tert-butylphenyl)-2-methylpropyl]piperidin-4-ol
CID 13607663
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
4-(2-Phenylethyl)morpholine
CID 411956
2-(4-Ethylphenyl)-1-(morpholin-4-yl)ethanethione
CID 270304
1-(4-Phenyl-piperidin-1-yl)-butan-2-ol
CID 3078235

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine (CID 11833620) is (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
The InChIKey is RYAUSSKQMZRMAI-YESZJQIVSA-N. The full InChI is InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15-,16-,17+/m0/s1.
What are the key properties of (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine has a molecular weight of 303.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[(2S)-3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 11833620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).