3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol

C14H25NO3Si — CID 174886746

IUPAC3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol
SMILESCCO[Si](C)(CCCO)OC(C)(N)c1ccccc1
InChIInChI=1S/C14H25NO3Si/c1-4-17-19(3,12-8-11-16)18-14(2,15)13-9-6-5-7-10-13/h5-7,9-10,16H,4,8,11-12,15H2,1-3H3
InChIKeyYWAXKBBWOLUUJV-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.33
Rot. Bonds8

About 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol

3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol (PubChem CID 174886746) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol.

Molecular Properties

Compound Name3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol
PubChem CID174886746
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol
SMILESCCO[Si](C)(CCCO)OC(C)(N)c1ccccc1
InChIInChI=1S/C14H25NO3Si/c1-4-17-19(3,12-8-11-16)18-14(2,15)13-9-6-5-7-10-13/h5-7,9-10,16H,4,8,11-12,15H2,1-3H3
InChIKeyYWAXKBBWOLUUJV-UHFFFAOYSA-N
XLogP2.33
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
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'}

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Related Compounds

benzamide;3-[diethoxy(methyl)silyl]propan-1-ol
CID 174755991
aniline;3-[dimethoxy(methyl)silyl]propan-1-ol
CID 174790638
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3-hydroxy-2-phenyl-2-trimethylsilyloxypropanenitrile
CID 101209370
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
4-methyl-4-phenylheptan-1-ol
CID 90978334
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
3-phenyl-3-trimethylsilylbutan-1-ol
CID 15889374
(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
6-phenylheptane-1,6-diol
CID 11310303

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol?
The IUPAC name of 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol (CID 174886746) is 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol.
What is the SMILES notation for 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol?
The canonical SMILES for 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol is CCO[Si](C)(CCCO)OC(C)(N)c1ccccc1.
What is the InChIKey of 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol?
The InChIKey is YWAXKBBWOLUUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-4-17-19(3,12-8-11-16)18-14(2,15)13-9-6-5-7-10-13/h5-7,9-10,16H,4,8,11-12,15H2,1-3H3.
What are the key properties of 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol?
3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol has a molecular weight of 283.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-phenylethoxy)-ethoxy-methylsilyl]propan-1-ol is sourced from PubChem (CID 174886746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).