1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine

C19H33NO2Si — CID 142701134

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine
SMILESCOc1ccccc1/C=C/CNC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NO2Si/c1-16(15-22-23(6,7)19(2,3)4)20-14-10-12-17-11-8-9-13-18(17)21-5/h8-13,16,20H,14-15H2,1-7H3/b12-10+
InChIKeyYUOYUHMDPDLDRB-ZRDIBKRKSA-N
MW335.56 g/mol
LogP4.71
Rot. Bonds8

About 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine

1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine (PubChem CID 142701134) has the molecular formula C19H33NO2Si and a molecular weight of 335.56 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine
PubChem CID142701134
Molecular FormulaC19H33NO2Si
Molecular Weight335.56 g/mol
Exact Mass335.23
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine
SMILESCOc1ccccc1/C=C/CNC(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H33NO2Si/c1-16(15-22-23(6,7)19(2,3)4)20-14-10-12-17-11-8-9-13-18(17)21-5/h8-13,16,20H,14-15H2,1-7H3/b12-10+
InChIKeyYUOYUHMDPDLDRB-ZRDIBKRKSA-N
XLogP4.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.56
LogP ≤ 54.71
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 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine (CID 142701134) is 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine is COc1ccccc1/C=C/CNC(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine?
The InChIKey is YUOYUHMDPDLDRB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H33NO2Si/c1-16(15-22-23(6,7)19(2,3)4)20-14-10-12-17-11-8-9-13-18(17)21-5/h8-13,16,20H,14-15H2,1-7H3/b12-10+.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine?
1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine has a molecular weight of 335.56 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]propan-2-amine is sourced from PubChem (CID 142701134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).