(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine

C18H32FNOSi — CID 71761913

IUPAC(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](F)CNCc1ccccc1
InChIInChI=1S/C18H32FNOSi/c1-18(2,3)22(4,5)21-13-9-12-17(19)15-20-14-16-10-7-6-8-11-16/h6-8,10-11,17,20H,9,12-15H2,1-5H3/t17-/m1/s1
InChIKeyRHGVPGLDAJHQIM-QGZVFWFLSA-N
MW325.54 g/mol
LogP4.92
Rot. Bonds9

About (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine

(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine (PubChem CID 71761913) has the molecular formula C18H32FNOSi and a molecular weight of 325.54 g/mol. Its IUPAC name is (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine.

Molecular Properties

Compound Name(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine
PubChem CID71761913
Molecular FormulaC18H32FNOSi
Molecular Weight325.54 g/mol
Exact Mass325.22
IUPAC Name(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H](F)CNCc1ccccc1
InChIInChI=1S/C18H32FNOSi/c1-18(2,3)22(4,5)21-13-9-12-17(19)15-20-14-16-10-7-6-8-11-16/h6-8,10-11,17,20H,9,12-15H2,1-5H3/t17-/m1/s1
InChIKeyRHGVPGLDAJHQIM-QGZVFWFLSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.54
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
tert-butyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10069177
(2S)-N-benzyl-2-(18F)fluoro-3-phenylpropan-1-amine
CID 177481068
tert-butyl-[(2R,3S)-3-deuterio-2-methyl-3-phenylpropoxy]-dimethylsilane
CID 177106743
tert-butyl-dimethyl-[7-(2-phenylethyl)non-8-ynoxy]silane
CID 132522568
tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
4-(benzylamino)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,4-dichlorophenyl)butan-2-ol
CID 66976278
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine?
The IUPAC name of (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine (CID 71761913) is (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine.
What is the SMILES notation for (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine?
The canonical SMILES for (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine is CC(C)(C)[Si](C)(C)OCCC[C@@H](F)CNCc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine?
The InChIKey is RHGVPGLDAJHQIM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H32FNOSi/c1-18(2,3)22(4,5)21-13-9-12-17(19)15-20-14-16-10-7-6-8-11-16/h6-8,10-11,17,20H,9,12-15H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine?
(2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine has a molecular weight of 325.54 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropentan-1-amine is sourced from PubChem (CID 71761913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).