2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine

C16H29NO2Si — CID 22297973

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1cccc(C)c1C(N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO2Si/c1-12-9-8-10-14(18-5)15(12)13(17)11-19-20(6,7)16(2,3)4/h8-10,13H,11,17H2,1-7H3
InChIKeyXOTOEZLYYBRQRL-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.03
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine

2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine (PubChem CID 22297973) has the molecular formula C16H29NO2Si and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine
PubChem CID22297973
Molecular FormulaC16H29NO2Si
Molecular Weight295.50 g/mol
Exact Mass295.20
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine
SMILESCOc1cccc(C)c1C(N)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO2Si/c1-12-9-8-10-14(18-5)15(12)13(17)11-19-20(6,7)16(2,3)4/h8-10,13H,11,17H2,1-7H3
InChIKeyXOTOEZLYYBRQRL-UHFFFAOYSA-N
XLogP4.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-6-methylphenyl)ethane-1,2-diamine
CID 55283458
(2S)-2-amino-2-(2-methoxy-6-methylphenyl)ethanol
CID 638516
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
5-(2-methoxy-6-methylphenyl)heptan-2-amine
CID 83923910
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
cyclopropyl-(2-methoxy-6-methylphenyl)methanamine;hydrochloride
CID 167712997
tert-butyl-[(3-methoxy-2-prop-2-enylphenyl)methoxy]-dimethylsilane
CID 11197121
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine (CID 22297973) is 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine is COc1cccc(C)c1C(N)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine?
The InChIKey is XOTOEZLYYBRQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2Si/c1-12-9-8-10-14(18-5)15(12)13(17)11-19-20(6,7)16(2,3)4/h8-10,13H,11,17H2,1-7H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine?
2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine has a molecular weight of 295.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-1-(2-methoxy-6-methylphenyl)ethanamine is sourced from PubChem (CID 22297973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).