2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine

C16H29NOSi — CID 22018512

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NOSi/c1-12-10-14(8-9-17)11-13(2)15(12)18-19(6,7)16(3,4)5/h10-11H,8-9,17H2,1-7H3
InChIKeyBVGATZZRMMEGHG-UHFFFAOYSA-N
MW279.50 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine

2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine (PubChem CID 22018512) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine
PubChem CID22018512
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine
SMILESCc1cc(CCN)cc(C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NOSi/c1-12-10-14(8-9-17)11-13(2)15(12)18-19(6,7)16(3,4)5/h10-11H,8-9,17H2,1-7H3
InChIKeyBVGATZZRMMEGHG-UHFFFAOYSA-N
XLogP4.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]methanamine
CID 167724342
tert-butyl-[4-[2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propan-2-yl]-2,6-dimethylphenoxy]-dimethylsilane
CID 126970735
(E)-7-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]hept-2-enenitrile
CID 10337521
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
4-[4-(2-aminoethyl)-2,6-dimethylphenoxy]aniline
CID 144504905
2-[4-[tert-butyl(dimethyl)silyl]oxy-1,3-benzodioxol-5-yl]ethanamine
CID 167717212
2-[3,5-dimethyl-4-(2,2,2-trifluoroethoxymethoxy)phenyl]ethanamine
CID 106705596
2-[3,5-dimethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]ethanamine
CID 116617103
2-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
2-[4-[(4-ethylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 63421326
3-[4-(2-aminoethyl)-2,6-dimethylphenoxy]-N,N-dimethylpropan-1-amine
CID 114526284
tert-butyl-[4-(dimethoxyphosphorylmethyl)-2-methoxy-6-methylphenoxy]-dimethylsilane
CID 91342581

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine (CID 22018512) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine is Cc1cc(CCN)cc(C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine?
The InChIKey is BVGATZZRMMEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-12-10-14(8-9-17)11-13(2)15(12)18-19(6,7)16(3,4)5/h10-11H,8-9,17H2,1-7H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine?
2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine has a molecular weight of 279.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]ethanamine is sourced from PubChem (CID 22018512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).