(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine

C16H27NO2Si — CID 10957339

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
SMILESCOc1ccc(/N=C/[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2Si/c1-13(19-20(6,7)16(2,3)4)12-17-14-8-10-15(18-5)11-9-14/h8-13H,1-7H3/b17-12+/t13-/m0/s1
InChIKeyAUQTWHDLHFNVKP-VLURKWGBSA-N
MW293.48 g/mol
LogP4.81
Rot. Bonds5

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine (PubChem CID 10957339) has the molecular formula C16H27NO2Si and a molecular weight of 293.48 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
PubChem CID10957339
Molecular FormulaC16H27NO2Si
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine
SMILESCOc1ccc(/N=C/[C@H](C)O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C16H27NO2Si/c1-13(19-20(6,7)16(2,3)4)12-17-14-8-10-15(18-5)11-9-14/h8-13H,1-7H3/b17-12+/t13-/m0/s1
InChIKeyAUQTWHDLHFNVKP-VLURKWGBSA-N
XLogP4.81
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate
CID 10937422
(E)-3-[tert-butyl(dimethyl)silyl]-N-(4-methoxyphenyl)prop-2-en-1-imine
CID 101383718
(E,2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-trimethylsilylpropan-1-imine
CID 11747325
N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
(2R)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxypropan-1-imine
CID 15060581
N-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-4-methoxyaniline
CID 135014872
tert-butyl N-[(2S)-1-(4-methoxyphenyl)iminopropan-2-yl]carbamate
CID 15675079
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)acetonitrile
CID 11033169
tert-butyl N-[(2S)-1-(4-methoxyphenyl)imino-3-methylbutan-2-yl]carbamate
CID 15675085
2,2,2-trichloro-N-(4-methoxyphenyl)ethanimine
CID 584090
ethane;methyl N-(4-methoxyphenyl)methanimidothioate
CID 143173626
(2S)-N,N-dibenzyl-1-(4-methoxyphenyl)imino-3-methylbutan-2-amine
CID 101154683

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine (CID 10957339) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine is COc1ccc(/N=C/[C@H](C)O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine?
The InChIKey is AUQTWHDLHFNVKP-VLURKWGBSA-N. The full InChI is InChI=1S/C16H27NO2Si/c1-13(19-20(6,7)16(2,3)4)12-17-14-8-10-15(18-5)11-9-14/h8-13H,1-7H3/b17-12+/t13-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine has a molecular weight of 293.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-N-(4-methoxyphenyl)propan-1-imine is sourced from PubChem (CID 10957339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).