3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine

C12H21NO3Si — CID 66586388

IUPAC3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
SMILESCO[Si](CCCN)(OC)OCc1ccccc1
InChIInChI=1S/C12H21NO3Si/c1-14-17(15-2,10-6-9-13)16-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,13H2,1-2H3
InChIKeyOKWYEBJNFREPEV-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.78
Rot. Bonds8

About 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine

3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine (PubChem CID 66586388) has the molecular formula C12H21NO3Si and a molecular weight of 255.39 g/mol. Its IUPAC name is 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
PubChem CID66586388
Molecular FormulaC12H21NO3Si
Molecular Weight255.39 g/mol
Exact Mass255.13
IUPAC Name3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
SMILESCO[Si](CCCN)(OC)OCc1ccccc1
InChIInChI=1S/C12H21NO3Si/c1-14-17(15-2,10-6-9-13)16-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,13H2,1-2H3
InChIKeyOKWYEBJNFREPEV-UHFFFAOYSA-N
XLogP1.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine 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

3-[dimethoxy(2-phenylethoxy)silyl]propan-1-amine
CID 66744163
4-[dimethoxy(phenylmethoxy)silyl]butanamide
CID 174833122
1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine
CID 174919332
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
CID 140645888
methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
N'-[3-[dimethoxy(2-phenylethyl)silyl]oxypropyl]ethane-1,2-diamine
CID 66688681
3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
CID 151836311
trimethoxy(12-phenyldodecyl)silane
CID 54325157
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzyl-N-ethenylpropan-2-amine;hydrochloride
CID 140986490
[dimethoxy(3-phenylpropoxy)silyl]methanamine
CID 139835551
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine?
The IUPAC name of 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine (CID 66586388) is 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine.
What is the SMILES notation for 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine?
The canonical SMILES for 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine is CO[Si](CCCN)(OC)OCc1ccccc1.
What is the InChIKey of 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine?
The InChIKey is OKWYEBJNFREPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3Si/c1-14-17(15-2,10-6-9-13)16-11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11,13H2,1-2H3.
What are the key properties of 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine?
3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine is sourced from PubChem (CID 66586388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).