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

C25H30FNOSi — CID 68911746

IUPAC(2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine
SMILESCC(C)(C)[Si](O[C@@](C)(N)Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30FNOSi/c1-24(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)28-25(4,27)19-20-15-17-21(26)18-16-20/h5-18H,19,27H2,1-4H3/t25-/m1/s1
InChIKeyQVQZZEUSIKKPOA-RUZDIDTESA-N
MW407.61 g/mol
LogP4.62
Rot. Bonds6

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

(2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine (PubChem CID 68911746) has the molecular formula C25H30FNOSi and a molecular weight of 407.61 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine
PubChem CID68911746
Molecular FormulaC25H30FNOSi
Molecular Weight407.61 g/mol
Exact Mass407.21
IUPAC Name(2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine
SMILESCC(C)(C)[Si](O[C@@](C)(N)Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30FNOSi/c1-24(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)28-25(4,27)19-20-15-17-21(26)18-16-20/h5-18H,19,27H2,1-4H3/t25-/m1/s1
InChIKeyQVQZZEUSIKKPOA-RUZDIDTESA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 22597146
1-(4-fluorophenyl)-2-pyrimidin-2-ylpropan-2-amine
CID 165485022
tert-butyl-[[6-(4-fluorophenyl)-2-pyridinyl]methoxy]-diphenylsilane
CID 23370183
1-fluoro-4-[2-[(4-fluorophenyl)methyl]-2-methyl-4-phenylbutyl]benzene
CID 46185525
1-(4-fluorophenyl)-2-methyl-3-pyridin-4-ylpropan-2-amine
CID 114833720
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
tert-butyl-[4-(iodomethyl)phenoxy]-diphenylsilane
CID 135016093
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluoro-1-(4-fluorophenyl)but-2-en-1-ol
CID 102228376
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
3-(4-fluorophenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 84723193
2-(3-fluorophenyl)-1-(4-fluorophenyl)propan-2-amine
CID 60798625
[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-5-(4-fluorophenyl)sulfanylthiolan-2-yl]methyl acetate
CID 153333214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine (CID 68911746) is (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine is CC(C)(C)[Si](O[C@@](C)(N)Cc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is QVQZZEUSIKKPOA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30FNOSi/c1-24(2,3)29(22-11-7-5-8-12-22,23-13-9-6-10-14-23)28-25(4,27)19-20-15-17-21(26)18-16-20/h5-18H,19,27H2,1-4H3/t25-/m1/s1.
What are the key properties of (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine?
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 407.61 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 68911746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).