(2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine

C15H27NOSi — CID 100990438

IUPAC(2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine
SMILESCC[C@@H](N)CO[Si@](C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H27NOSi/c1-6-13(16)12-17-18(5,15(2,3)4)14-10-8-7-9-11-14/h7-11,13H,6,12,16H2,1-5H3/t13-,18-/m1/s1
InChIKeyZGDKMWBWOUBXIO-FZKQIMNGSA-N
MW265.47 g/mol
LogP3.02
Rot. Bonds5

About (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine

(2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine (PubChem CID 100990438) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine.

Molecular Properties

Compound Name(2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine
PubChem CID100990438
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name(2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine
SMILESCC[C@@H](N)CO[Si@](C)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H27NOSi/c1-6-13(16)12-17-18(5,15(2,3)4)14-10-8-7-9-11-14/h7-11,13H,6,12,16H2,1-5H3/t13-,18-/m1/s1
InChIKeyZGDKMWBWOUBXIO-FZKQIMNGSA-N
XLogP3.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.02
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

(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
4-[(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropyl]phenol
CID 72711968
(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[4-[tert-butyl(diphenyl)silyl]oxyphenyl]propan-2-amine
CID 11700207
2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
CID 11459395
tert-butyl-(2-methoxy-1-trimethylsilylethyl)-diphenylsilane
CID 67804101
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
2-[tert-butyl(diphenyl)silyl]oxy-1-(oxetan-3-yl)ethanamine
CID 169182431
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2S,3S)-4-[tert-butyl(diphenyl)silyl]oxy-2,3-bis(methoxymethoxy)butan-1-ol
CID 72793343
1-(4-phenylphenoxy)butan-2-amine
CID 62039154
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine?
The IUPAC name of (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine (CID 100990438) is (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine.
What is the SMILES notation for (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine?
The canonical SMILES for (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine is CC[C@@H](N)CO[Si@](C)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine?
The InChIKey is ZGDKMWBWOUBXIO-FZKQIMNGSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-6-13(16)12-17-18(5,15(2,3)4)14-10-8-7-9-11-14/h7-11,13H,6,12,16H2,1-5H3/t13-,18-/m1/s1.
What are the key properties of (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine?
(2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butyl-methyl-phenylsilyl)oxybutan-2-amine is sourced from PubChem (CID 100990438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).