[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane

C19H33NOSi — CID 13292188

IUPAC[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane
SMILESCC(Cc1ccc([Si](C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H33NOSi/c1-15(12-20-13-16(2)21-17(3)14-20)11-18-7-9-19(10-8-18)22(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
InChIKeyXUJVGYPOIKHHTK-ALOPSCKCSA-N
MW319.57 g/mol
LogP3.52
Rot. Bonds5

About [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane

[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane (PubChem CID 13292188) has the molecular formula C19H33NOSi and a molecular weight of 319.57 g/mol. Its IUPAC name is [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane
PubChem CID13292188
Molecular FormulaC19H33NOSi
Molecular Weight319.57 g/mol
Exact Mass319.23
IUPAC Name[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane
SMILESCC(Cc1ccc([Si](C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C19H33NOSi/c1-15(12-20-13-16(2)21-17(3)14-20)11-18-7-9-19(10-8-18)22(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
InChIKeyXUJVGYPOIKHHTK-ALOPSCKCSA-N
XLogP3.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.57
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Fenpropimorph
CID 93365
Amorolfine
CID 54260
4-(3-(4-(1,1-Dimethylethyl)phenyl)-2-methylpropyl)-2,6-dimethylmorpholine
CID 91695
(S)-cis-fenpropimorph
CID 11833620
Amorolfine hydrochloride
CID 54259
4-(2,2-Diphenylethyl)morpholine
CID 240345
4-(3-Phenylpropyl)morpholine
CID 782728
4-(3-Phenylbutyl)morpholine
CID 2845822
Morpholine, 4-(2-phenylethyl)-
CID 411956
4-[3-(4-Tert-butylphenyl)propyl]morpholine
CID 137643283
4-(2-Phenylpropyl)morpholine
CID 2845855
2,6-Dimethyl-4-(2-phenylethyl)morpholine
CID 2846152

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane?
The IUPAC name of [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane (CID 13292188) is [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane is CC(Cc1ccc([Si](C)(C)C)cc1)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane?
The InChIKey is XUJVGYPOIKHHTK-ALOPSCKCSA-N. The full InChI is InChI=1S/C19H33NOSi/c1-15(12-20-13-16(2)21-17(3)14-20)11-18-7-9-19(10-8-18)22(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+.
What are the key properties of [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane?
[4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane has a molecular weight of 319.57 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-trimethylsilane is sourced from PubChem (CID 13292188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).