3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine

C15H26FNOSi — CID 58548906

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC(CN)c1ccc(F)cc1
InChIInChI=1S/C15H26FNOSi/c1-15(2,3)19(4,5)18-11-13(10-17)12-6-8-14(16)9-7-12/h6-9,13H,10-11,17H2,1-5H3
InChIKeyBSFKEEDEXZTGKC-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.89
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine

3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine (PubChem CID 58548906) has the molecular formula C15H26FNOSi and a molecular weight of 283.46 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
PubChem CID58548906
Molecular FormulaC15H26FNOSi
Molecular Weight283.46 g/mol
Exact Mass283.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC(CN)c1ccc(F)cc1
InChIInChI=1S/C15H26FNOSi/c1-15(2,3)19(4,5)18-11-13(10-17)12-6-8-14(16)9-7-12/h6-9,13H,10-11,17H2,1-5H3
InChIKeyBSFKEEDEXZTGKC-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.89
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 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine (CID 58548906) is 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine is CC(C)(C)[Si](C)(C)OCC(CN)c1ccc(F)cc1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine?
The InChIKey is BSFKEEDEXZTGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNOSi/c1-15(2,3)19(4,5)18-11-13(10-17)12-6-8-14(16)9-7-12/h6-9,13H,10-11,17H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine?
3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine has a molecular weight of 283.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 58548906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).