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

C17H30FNO2Si — CID 66705907

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H](N)COCCc1ccc(F)cc1
InChIInChI=1S/C17H30FNO2Si/c1-17(2,3)22(4,5)21-13-16(19)12-20-11-10-14-6-8-15(18)9-7-14/h6-9,16H,10-13,19H2,1-5H3/t16-/m1/s1
InChIKeyXZUHLEUIFFIEET-MRXNPFEDSA-N
MW327.52 g/mol
LogP3.73
Rot. Bonds8

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

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine (PubChem CID 66705907) has the molecular formula C17H30FNO2Si and a molecular weight of 327.52 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine
PubChem CID66705907
Molecular FormulaC17H30FNO2Si
Molecular Weight327.52 g/mol
Exact Mass327.20
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@H](N)COCCc1ccc(F)cc1
InChIInChI=1S/C17H30FNO2Si/c1-17(2,3)22(4,5)21-13-16(19)12-20-11-10-14-6-8-15(18)9-7-14/h6-9,16H,10-13,19H2,1-5H3/t16-/m1/s1
InChIKeyXZUHLEUIFFIEET-MRXNPFEDSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.52
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine (CID 66705907) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine is CC(C)(C)[Si](C)(C)OC[C@H](N)COCCc1ccc(F)cc1.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine?
The InChIKey is XZUHLEUIFFIEET-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H30FNO2Si/c1-17(2,3)22(4,5)21-13-16(19)12-20-11-10-14-6-8-15(18)9-7-14/h6-9,16H,10-13,19H2,1-5H3/t16-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine has a molecular weight of 327.52 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-(4-fluorophenyl)ethoxy]propan-2-amine is sourced from PubChem (CID 66705907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).