(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine

C24H28FNOSi — CID 69005937

IUPAC(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)[Si](OC[C@H](N)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28FNOSi/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-23(26)19-14-16-20(25)17-15-19/h4-17,23H,18,26H2,1-3H3/t23-/m0/s1
InChIKeyXRYMELLTGUPIFM-QHCPKHFHSA-N
MW393.58 g/mol
LogP4.40
Rot. Bonds6

About (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine

(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine (PubChem CID 69005937) has the molecular formula C24H28FNOSi and a molecular weight of 393.58 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
PubChem CID69005937
Molecular FormulaC24H28FNOSi
Molecular Weight393.58 g/mol
Exact Mass393.19
IUPAC Name(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine
SMILESCC(C)(C)[Si](OC[C@H](N)c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28FNOSi/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-23(26)19-14-16-20(25)17-15-19/h4-17,23H,18,26H2,1-3H3/t23-/m0/s1
InChIKeyXRYMELLTGUPIFM-QHCPKHFHSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.40
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 (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine (CID 69005937) is (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine is CC(C)(C)[Si](OC[C@H](N)c1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
The InChIKey is XRYMELLTGUPIFM-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28FNOSi/c1-24(2,3)28(21-10-6-4-7-11-21,22-12-8-5-9-13-22)27-18-23(26)19-14-16-20(25)17-15-19/h4-17,23H,18,26H2,1-3H3/t23-/m0/s1.
What are the key properties of (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine?
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine has a molecular weight of 393.58 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 69005937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).