2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine

C16H29NO2Si — CID 167731618

IUPAC2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1
InChIInChI=1S/C16H29NO2Si/c1-16(2,3)20(6,7)19-14-9-8-13(10-11-17-4)12-15(14)18-5/h8-9,12,17H,10-11H2,1-7H3
InChIKeyNPNRIARDQYZTDP-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine

2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine (PubChem CID 167731618) has the molecular formula C16H29NO2Si and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
PubChem CID167731618
Molecular FormulaC16H29NO2Si
Molecular Weight295.50 g/mol
Exact Mass295.20
IUPAC Name2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine
SMILESCNCCc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1
InChIInChI=1S/C16H29NO2Si/c1-16(2,3)20(6,7)19-14-9-8-13(10-11-17-4)12-15(14)18-5/h8-9,12,17H,10-11H2,1-7H3
InChIKeyNPNRIARDQYZTDP-UHFFFAOYSA-N
XLogP3.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.84
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

2-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-N-methylethanamine
CID 167728474
2-(3-methoxy-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine
CID 530100
3-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]propanoic acid
CID 11015109
[[2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]acetyl]amino] 2,2-dimethylpropanoate
CID 171419580
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
O-[1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-4-phenylpentan-3-yl] N-(2-phenylethyl)carbamothioate
CID 150926632
2-[3-(difluoromethoxy)-4-methoxyphenyl]-N-methylethanamine
CID 64867479
2-[2-(3,4-dimethoxyphenyl)ethylamino]propane-2-thiol
CID 145473634
2-(4-ethenyl-3-methoxyphenyl)-N-methylethanamine
CID 144546494
2-(3-methoxy-4-methylsulfanylphenyl)-N-methylethanamine
CID 117302149
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850
[2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenoxy]-tert-butyl-dimethylsilane
CID 102589109

Frequently Asked Questions

What is the IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine?
The IUPAC name of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine (CID 167731618) is 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine is CNCCc1ccc(O[Si](C)(C)C(C)(C)C)c(OC)c1.
What is the InChIKey of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine?
The InChIKey is NPNRIARDQYZTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2Si/c1-16(2,3)20(6,7)19-14-9-8-13(10-11-17-4)12-15(14)18-5/h8-9,12,17H,10-11H2,1-7H3.
What are the key properties of 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine?
2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]-N-methylethanamine is sourced from PubChem (CID 167731618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).