2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine

C14H26FNOSi2 — CID 91750745

IUPAC2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine
SMILESC[Si](C)(C)NCCc1ccc(O[Si](C)(C)C)c(F)c1
InChIInChI=1S/C14H26FNOSi2/c1-18(2,3)16-10-9-12-7-8-14(13(15)11-12)17-19(4,5)6/h7-8,11,16H,9-10H2,1-6H3
InChIKeyPGEFPLMXIXBCIP-UHFFFAOYSA-N
MW299.54 g/mol
LogP4.01
Rot. Bonds6

About 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine

2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine (PubChem CID 91750745) has the molecular formula C14H26FNOSi2 and a molecular weight of 299.54 g/mol. Its IUPAC name is 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine.

Molecular Properties

Compound Name2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine
PubChem CID91750745
Molecular FormulaC14H26FNOSi2
Molecular Weight299.54 g/mol
Exact Mass299.15
IUPAC Name2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine
SMILESC[Si](C)(C)NCCc1ccc(O[Si](C)(C)C)c(F)c1
InChIInChI=1S/C14H26FNOSi2/c1-18(2,3)16-10-9-12-7-8-14(13(15)11-12)17-19(4,5)6/h7-8,11,16H,9-10H2,1-6H3
InChIKeyPGEFPLMXIXBCIP-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 54.01
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

Phenol, 4-(2-aminoethyl)-2-fluoro-, hydrobromide
CID 3087244
4-(2-Aminoethyl)-2-fluorophenol
CID 193292
Silanamine, 1,1,1-trimethyl-N-[2-[4-[(trimethylsilyl)oxy]phenyl]ethyl]-
CID 521557
Phenylethanolamine triTMS
CID 599838
Dopamine, 3TBDMS derivative
CID 91718588
2-{4-[(Trimethylsilyl)oxy]phenyl}ethan-1-amine
CID 91727353
4-(2-Aminoethyl)-3-fluorophenol hydrobromide
CID 137838127
N-trimethylsilyl-p-methoxy-beta-phenylethylamine
CID 129878727
O-methoxytyramine
CID 129716775
Tyramine, N-TFA-O-TMS
CID 6431455
4-(2-Aminoethyl)-3-fluorophenol
CID 13643616
4-(2-Aminoethyl)-2,3-difluorophenol
CID 53404101

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine?
The IUPAC name of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine (CID 91750745) is 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine.
What is the SMILES notation for 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine?
The canonical SMILES for 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine is C[Si](C)(C)NCCc1ccc(O[Si](C)(C)C)c(F)c1.
What is the InChIKey of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine?
The InChIKey is PGEFPLMXIXBCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNOSi2/c1-18(2,3)16-10-9-12-7-8-14(13(15)11-12)17-19(4,5)6/h7-8,11,16H,9-10H2,1-6H3.
What are the key properties of 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine?
2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine has a molecular weight of 299.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-trimethylsilyloxyphenyl)-N-trimethylsilylethanamine is sourced from PubChem (CID 91750745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).