(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine

C15H27NOSi — CID 14345504

IUPAC(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine
SMILESC[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H27NOSi/c1-12(16)14(13-10-8-7-9-11-13)17-18(5,6)15(2,3)4/h7-12,14H,16H2,1-6H3/t12-,14+/m0/s1
InChIKeyBABBMLYDRQYLOS-GXTWGEPZSA-N
MW265.47 g/mol
LogP4.10
Rot. Bonds4

About (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine (PubChem CID 14345504) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine
PubChem CID14345504
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine
SMILESC[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C15H27NOSi/c1-12(16)14(13-10-8-7-9-11-13)17-18(5,6)15(2,3)4/h7-12,14H,16H2,1-6H3/t12-,14+/m0/s1
InChIKeyBABBMLYDRQYLOS-GXTWGEPZSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine (CID 14345504) is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine is C[C@H](N)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine?
The InChIKey is BABBMLYDRQYLOS-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-12(16)14(13-10-8-7-9-11-13)17-18(5,6)15(2,3)4/h7-12,14H,16H2,1-6H3/t12-,14+/m0/s1.
What are the key properties of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine?
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-2-amine is sourced from PubChem (CID 14345504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).