[butyl(dimethoxy)silyl]oxy-phenylmethanamine

C13H23NO3Si — CID 174928704

IUPAC[butyl(dimethoxy)silyl]oxy-phenylmethanamine
SMILESCCCC[Si](OC)(OC)OC(N)c1ccccc1
InChIInChI=1S/C13H23NO3Si/c1-4-5-11-18(15-2,16-3)17-13(14)12-9-7-6-8-10-12/h6-10,13H,4-5,11,14H2,1-3H3
InChIKeyXTEJQSKIEYZQCM-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.69
Rot. Bonds8

About [butyl(dimethoxy)silyl]oxy-phenylmethanamine

[butyl(dimethoxy)silyl]oxy-phenylmethanamine (PubChem CID 174928704) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is [butyl(dimethoxy)silyl]oxy-phenylmethanamine.

Molecular Properties

Compound Name[butyl(dimethoxy)silyl]oxy-phenylmethanamine
PubChem CID174928704
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC Name[butyl(dimethoxy)silyl]oxy-phenylmethanamine
SMILESCCCC[Si](OC)(OC)OC(N)c1ccccc1
InChIInChI=1S/C13H23NO3Si/c1-4-5-11-18(15-2,16-3)17-13(14)12-9-7-6-8-10-12/h6-10,13H,4-5,11,14H2,1-3H3
InChIKeyXTEJQSKIEYZQCM-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [butyl(dimethoxy)silyl]oxy-phenylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl-dimethoxy-phenylsilane
CID 66773516
1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine
CID 174919332
hexadecyl-dimethoxy-propan-2-yloxysilane
CID 154147118
di(butan-2-yloxy)-butyl-methoxysilane
CID 71349639
methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
[butyl(dimethyl)silyl] (2R)-2-hydroxy-2-phenylacetate
CID 70086946
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
trimethoxy(5-phenylpent-4-enyl)silane
CID 57062369
2-pentoxy-1-phenylethanamine
CID 43275081
trimethoxy(2-phenylethyl)silane;trimethoxy(propyl)silane
CID 70127509

Frequently Asked Questions

What is the IUPAC name of [butyl(dimethoxy)silyl]oxy-phenylmethanamine?
The IUPAC name of [butyl(dimethoxy)silyl]oxy-phenylmethanamine (CID 174928704) is [butyl(dimethoxy)silyl]oxy-phenylmethanamine.
What is the SMILES notation for [butyl(dimethoxy)silyl]oxy-phenylmethanamine?
The canonical SMILES for [butyl(dimethoxy)silyl]oxy-phenylmethanamine is CCCC[Si](OC)(OC)OC(N)c1ccccc1.
What is the InChIKey of [butyl(dimethoxy)silyl]oxy-phenylmethanamine?
The InChIKey is XTEJQSKIEYZQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-4-5-11-18(15-2,16-3)17-13(14)12-9-7-6-8-10-12/h6-10,13H,4-5,11,14H2,1-3H3.
What are the key properties of [butyl(dimethoxy)silyl]oxy-phenylmethanamine?
[butyl(dimethoxy)silyl]oxy-phenylmethanamine has a molecular weight of 269.42 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(dimethoxy)silyl]oxy-phenylmethanamine is sourced from PubChem (CID 174928704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).