2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline

C17H29NO4Si — CID 174819805

IUPAC2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline
SMILESCOC1(CCCOc2ccccc2N)CCCC[Si]1(OC)OC
InChIInChI=1S/C17H29NO4Si/c1-19-17(11-6-7-14-23(17,20-2)21-3)12-8-13-22-16-10-5-4-9-15(16)18/h4-5,9-10H,6-8,11-14,18H2,1-3H3
InChIKeyWKWHRJNZNCEMIF-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.27
Rot. Bonds8

About 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline

2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline (PubChem CID 174819805) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline
PubChem CID174819805
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Name2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline
SMILESCOC1(CCCOc2ccccc2N)CCCC[Si]1(OC)OC
InChIInChI=1S/C17H29NO4Si/c1-19-17(11-6-7-14-23(17,20-2)21-3)12-8-13-22-16-10-5-4-9-15(16)18/h4-5,9-10H,6-8,11-14,18H2,1-3H3
InChIKeyWKWHRJNZNCEMIF-UHFFFAOYSA-N
XLogP3.27
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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CID 79688995
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
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2-octoxyaniline
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2-[3-[methoxy(methyl)amino]propoxy]aniline
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CID 62523597
2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 60918283
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-methoxyaniline;dihydrochloride
CID 69020746
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
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CID 66809895
CID 66809895

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline?
The IUPAC name of 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline (CID 174819805) is 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline.
What is the SMILES notation for 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline?
The canonical SMILES for 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline is COC1(CCCOc2ccccc2N)CCCC[Si]1(OC)OC.
What is the InChIKey of 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline?
The InChIKey is WKWHRJNZNCEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-19-17(11-6-7-14-23(17,20-2)21-3)12-8-13-22-16-10-5-4-9-15(16)18/h4-5,9-10H,6-8,11-14,18H2,1-3H3.
What are the key properties of 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline?
2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline has a molecular weight of 339.51 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,2-trimethoxysilinan-2-yl)propoxy]aniline is sourced from PubChem (CID 174819805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).