3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine

C15H25F2NOSi — CID 58548890

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C15H25F2NOSi/c1-15(2,3)20(4,5)19-7-6-14(18)11-8-12(16)10-13(17)9-11/h8-10,14H,6-7,18H2,1-5H3
InChIKeyZWISXQTXJQXTML-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.38
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine

3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine (PubChem CID 58548890) has the molecular formula C15H25F2NOSi and a molecular weight of 301.45 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine
PubChem CID58548890
Molecular FormulaC15H25F2NOSi
Molecular Weight301.45 g/mol
Exact Mass301.17
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC(N)c1cc(F)cc(F)c1
InChIInChI=1S/C15H25F2NOSi/c1-15(2,3)20(4,5)19-7-6-14(18)11-8-12(16)10-13(17)9-11/h8-10,14H,6-7,18H2,1-5H3
InChIKeyZWISXQTXJQXTML-UHFFFAOYSA-N
XLogP4.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.38
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-1-(3,5-difluorophenyl)propan-1-amine?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine (CID 58548890) is 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine is CC(C)(C)[Si](C)(C)OCCC(N)c1cc(F)cc(F)c1.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine?
The InChIKey is ZWISXQTXJQXTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NOSi/c1-15(2,3)20(4,5)19-7-6-14(18)11-8-12(16)10-13(17)9-11/h8-10,14H,6-7,18H2,1-5H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine?
3-[tert-butyl(dimethyl)silyl]oxy-1-(3,5-difluorophenyl)propan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.38, 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-1-(3,5-difluorophenyl)propan-1-amine is sourced from PubChem (CID 58548890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).