(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine

C14H25NOSi — CID 14335550

IUPAC(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](N)c1ccccc1
InChIInChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12/h6-10,13H,11,15H2,1-5H3/t13-/m1/s1
InChIKeyRMLOPQZAASLABO-CYBMUJFWSA-N
MW251.45 g/mol
LogP3.71
Rot. Bonds4

About (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine

(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine (PubChem CID 14335550) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
PubChem CID14335550
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](N)c1ccccc1
InChIInChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12/h6-10,13H,11,15H2,1-5H3/t13-/m1/s1
InChIKeyRMLOPQZAASLABO-CYBMUJFWSA-N
XLogP3.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 53.71
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)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine?
The IUPAC name of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine (CID 14335550) is (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine.
What is the SMILES notation for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine?
The canonical SMILES for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine is CC(C)(C)[Si](C)(C)OC[C@@H](N)c1ccccc1.
What is the InChIKey of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine?
The InChIKey is RMLOPQZAASLABO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-14(2,3)17(4,5)16-11-13(15)12-9-7-6-8-10-12/h6-10,13H,11,15H2,1-5H3/t13-/m1/s1.
What are the key properties of (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine?
(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine has a molecular weight of 251.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethanamine is sourced from PubChem (CID 14335550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).