(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine

C15H27NOSi — CID 11666148

IUPAC(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](N)c1ccccc1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-11-14(16)13-9-7-6-8-10-13/h6-10,14H,11-12,16H2,1-5H3/t14-/m1/s1
InChIKeyZRKFNKKGRSGNBT-CQSZACIVSA-N
MW265.47 g/mol
LogP4.10
Rot. Bonds5

About (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine

(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine (PubChem CID 11666148) has the molecular formula C15H27NOSi and a molecular weight of 265.47 g/mol. Its IUPAC name is (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine.

Molecular Properties

Compound Name(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
PubChem CID11666148
Molecular FormulaC15H27NOSi
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](N)c1ccccc1
InChIInChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-11-14(16)13-9-7-6-8-10-13/h6-10,14H,11-12,16H2,1-5H3/t14-/m1/s1
InChIKeyZRKFNKKGRSGNBT-CQSZACIVSA-N
XLogP4.10
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 ≤ 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 (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine?
The IUPAC name of (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine (CID 11666148) is (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine.
What is the SMILES notation for (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine?
The canonical SMILES for (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine is CC(C)(C)[Si](C)(C)OCC[C@@H](N)c1ccccc1.
What is the InChIKey of (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine?
The InChIKey is ZRKFNKKGRSGNBT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H27NOSi/c1-15(2,3)18(4,5)17-12-11-14(16)13-9-7-6-8-10-13/h6-10,14H,11-12,16H2,1-5H3/t14-/m1/s1.
What are the key properties of (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine?
(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropan-1-amine is sourced from PubChem (CID 11666148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).