N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine

C18H32ClNOSi — CID 91698894

IUPACN-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C18H32ClNOSi/c1-17(2,3)20-13-16(14-11-9-10-12-15(14)19)21-22(7,8)18(4,5)6/h9-12,16,20H,13H2,1-8H3
InChIKeySQXFRBBGXXDYGR-UHFFFAOYSA-N
MW342.00 g/mol
LogP5.79
Rot. Bonds5

About N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine

N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine (PubChem CID 91698894) has the molecular formula C18H32ClNOSi and a molecular weight of 342.00 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine
PubChem CID91698894
Molecular FormulaC18H32ClNOSi
Molecular Weight342.00 g/mol
Exact Mass341.19
IUPAC NameN-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C18H32ClNOSi/c1-17(2,3)20-13-16(14-11-9-10-12-15(14)19)21-22(7,8)18(4,5)6/h9-12,16,20H,13H2,1-8H3
InChIKeySQXFRBBGXXDYGR-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.00
LogP ≤ 55.79
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 N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine (CID 91698894) is N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(O[Si](C)(C)C(C)(C)C)c1ccccc1Cl.
What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is SQXFRBBGXXDYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClNOSi/c1-17(2,3)20-13-16(14-11-9-10-12-15(14)19)21-22(7,8)18(4,5)6/h9-12,16,20H,13H2,1-8H3.
What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine?
N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 342.00 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(dimethyl)silyl]oxy-2-(2-chlorophenyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 91698894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).