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

C16H29NOSi — CID 165362224

IUPAC(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H29NOSi/c1-13(17-5)15(14-11-9-8-10-12-14)18-19(6,7)16(2,3)4/h8-13,15,17H,1-7H3/t13-,15+/m0/s1
InChIKeyWIKYZIWJVSQTNP-DZGCQCFKSA-N
MW279.50 g/mol
LogP4.36
Rot. Bonds5

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

(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine (PubChem CID 165362224) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine.

Molecular Properties

Compound Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
PubChem CID165362224
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Name(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine
SMILESCN[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H29NOSi/c1-13(17-5)15(14-11-9-8-10-12-14)18-19(6,7)16(2,3)4/h8-13,15,17H,1-7H3/t13-,15+/m0/s1
InChIKeyWIKYZIWJVSQTNP-DZGCQCFKSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.50
LogP ≤ 54.36
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-N-methyl-1-phenylpropan-2-amine?
The IUPAC name of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine (CID 165362224) is (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine.
What is the SMILES notation for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
The canonical SMILES for (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine is CN[C@@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
The InChIKey is WIKYZIWJVSQTNP-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-13(17-5)15(14-11-9-8-10-12-14)18-19(6,7)16(2,3)4/h8-13,15,17H,1-7H3/t13-,15+/m0/s1.
What are the key properties of (1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine?
(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-N-methyl-1-phenylpropan-2-amine has a molecular weight of 279.50 g/mol, XLogP of 4.36, 5 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-N-methyl-1-phenylpropan-2-amine is sourced from PubChem (CID 165362224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).