(2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine

C32H40N2OSi — CID 10529299

IUPAC(2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](N[C@@](C)(Cc1ccccc1)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C32H40N2OSi/c1-31(2,3)36(5,6)35-24-29(26-17-11-8-12-18-26)34-32(4,23-25-15-9-7-10-16-25)30-22-21-27-19-13-14-20-28(27)33-30/h7-22,29,34H,23-24H2,1-6H3/t29-,32+/m1/s1
InChIKeyQOILWMWKRWGCEP-PPTMTGTBSA-N
MW496.77 g/mol
LogP8.05
Rot. Bonds9

About (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine

(2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine (PubChem CID 10529299) has the molecular formula C32H40N2OSi and a molecular weight of 496.77 g/mol. Its IUPAC name is (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine
PubChem CID10529299
Molecular FormulaC32H40N2OSi
Molecular Weight496.77 g/mol
Exact Mass496.29
IUPAC Name(2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine
SMILESCC(C)(C)[Si](C)(C)OC[C@@H](N[C@@](C)(Cc1ccccc1)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C32H40N2OSi/c1-31(2,3)36(5,6)35-24-29(26-17-11-8-12-18-26)34-32(4,23-25-15-9-7-10-16-25)30-22-21-27-19-13-14-20-28(27)33-30/h7-22,29,34H,23-24H2,1-6H3/t29-,32+/m1/s1
InChIKeyQOILWMWKRWGCEP-PPTMTGTBSA-N
XLogP8.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.77
LogP ≤ 58.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine (CID 10529299) is (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine is CC(C)(C)[Si](C)(C)OC[C@@H](N[C@@](C)(Cc1ccccc1)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine?
The InChIKey is QOILWMWKRWGCEP-PPTMTGTBSA-N. The full InChI is InChI=1S/C32H40N2OSi/c1-31(2,3)36(5,6)35-24-29(26-17-11-8-12-18-26)34-32(4,23-25-15-9-7-10-16-25)30-22-21-27-19-13-14-20-28(27)33-30/h7-22,29,34H,23-24H2,1-6H3/t29-,32+/m1/s1.
What are the key properties of (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine?
(2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine has a molecular weight of 496.77 g/mol, XLogP of 8.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]-1-phenyl-2-quinolin-2-ylpropan-2-amine is sourced from PubChem (CID 10529299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).