(3-triethoxysilylphenyl)methanamine

C13H23NO3Si — CID 154113135

IUPAC(3-triethoxysilylphenyl)methanamine
SMILESCCO[Si](OCC)(OCC)c1cccc(CN)c1
InChIInChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)13-9-7-8-12(10-13)11-14/h7-10H,4-6,11,14H2,1-3H3
InChIKeyZHJAQWNGXVEYHT-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.40
Rot. Bonds8

About (3-triethoxysilylphenyl)methanamine

(3-triethoxysilylphenyl)methanamine (PubChem CID 154113135) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is (3-triethoxysilylphenyl)methanamine.

Molecular Properties

Compound Name(3-triethoxysilylphenyl)methanamine
PubChem CID154113135
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name(3-triethoxysilylphenyl)methanamine
SMILESCCO[Si](OCC)(OCC)c1cccc(CN)c1
InChIInChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)13-9-7-8-12(10-13)11-14/h7-10H,4-6,11,14H2,1-3H3
InChIKeyZHJAQWNGXVEYHT-UHFFFAOYSA-N
XLogP1.40
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3-triethoxysilylphenyl)methanamine?
The IUPAC name of (3-triethoxysilylphenyl)methanamine (CID 154113135) is (3-triethoxysilylphenyl)methanamine.
What is the SMILES notation for (3-triethoxysilylphenyl)methanamine?
The canonical SMILES for (3-triethoxysilylphenyl)methanamine is CCO[Si](OCC)(OCC)c1cccc(CN)c1.
What is the InChIKey of (3-triethoxysilylphenyl)methanamine?
The InChIKey is ZHJAQWNGXVEYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)13-9-7-8-12(10-13)11-14/h7-10H,4-6,11,14H2,1-3H3.
What are the key properties of (3-triethoxysilylphenyl)methanamine?
(3-triethoxysilylphenyl)methanamine has a molecular weight of 269.42 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-triethoxysilylphenyl)methanamine is sourced from PubChem (CID 154113135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).