(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine

C23H34FNOSi — CID 172785843

IUPAC(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC[C@@](C)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34FNOSi/c1-19(2)25-17-23(6,24)18-26-27(22(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,25H,17-18H2,1-6H3/t23-/m1/s1
InChIKeyOWLQPTZLBNVANS-HSZRJFAPSA-N
MW387.62 g/mol
LogP4.29
Rot. Bonds8

About (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine

(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 172785843) has the molecular formula C23H34FNOSi and a molecular weight of 387.62 g/mol. Its IUPAC name is (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID172785843
Molecular FormulaC23H34FNOSi
Molecular Weight387.62 g/mol
Exact Mass387.24
IUPAC Name(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NC[C@@](C)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H34FNOSi/c1-19(2)25-17-23(6,24)18-26-27(22(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,25H,17-18H2,1-6H3/t23-/m1/s1
InChIKeyOWLQPTZLBNVANS-HSZRJFAPSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-N-[(2R)-1-indol-1-ylpropan-2-yl]-2-methylpropan-1-amine
CID 140830259
3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropan-1-ol
CID 125483258
3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
CID 156894869
4-[2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]benzene-1,2-diol
CID 175396870
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
tert-butyl-(2-iodoethoxy)-diphenylsilane
CID 11269862
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
tert-butyl-diphenyl-[(Z,2R)-5,5,5-trifluoro-2-methylpent-3-enoxy]silane
CID 150355480

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine (CID 172785843) is (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine is CC(C)NC[C@@](C)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is OWLQPTZLBNVANS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H34FNOSi/c1-19(2)25-17-23(6,24)18-26-27(22(3,4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,25H,17-18H2,1-6H3/t23-/m1/s1.
What are the key properties of (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine?
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 387.62 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 172785843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).