2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine

C21H28FNOSi — CID 174058873

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine
SMILESCC(C)(C)[Si](OCC(N)C1(F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28FNOSi/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-19(23)21(22)14-15-21/h4-13,19H,14-16,23H2,1-3H3
InChIKeyBCJVTEWVCJXPFU-UHFFFAOYSA-N
MW357.55 g/mol
LogP3.39
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine

2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine (PubChem CID 174058873) has the molecular formula C21H28FNOSi and a molecular weight of 357.55 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine
PubChem CID174058873
Molecular FormulaC21H28FNOSi
Molecular Weight357.55 g/mol
Exact Mass357.19
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine
SMILESCC(C)(C)[Si](OCC(N)C1(F)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H28FNOSi/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-19(23)21(22)14-15-21/h4-13,19H,14-16,23H2,1-3H3
InChIKeyBCJVTEWVCJXPFU-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine (CID 174058873) is 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine is CC(C)(C)[Si](OCC(N)C1(F)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine?
The InChIKey is BCJVTEWVCJXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNOSi/c1-20(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-19(23)21(22)14-15-21/h4-13,19H,14-16,23H2,1-3H3.
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine?
2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine has a molecular weight of 357.55 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-1-(1-fluorocyclopropyl)ethanamine is sourced from PubChem (CID 174058873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).