(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate

C17H31NO5Si — CID 174858587

IUPAC(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
SMILESCCOC(CCCN)(O[Si](OC)(OCC)OCC)c1ccccc1
InChIInChI=1S/C17H31NO5Si/c1-5-20-17(14-11-15-18,16-12-9-8-10-13-16)23-24(19-4,21-6-2)22-7-3/h8-10,12-13H,5-7,11,14-15,18H2,1-4H3
InChIKeyJQEMEONXYYQPFP-UHFFFAOYSA-N
MW357.52 g/mol
LogP2.79
Rot. Bonds13

About (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate

(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate (PubChem CID 174858587) has the molecular formula C17H31NO5Si and a molecular weight of 357.52 g/mol. Its IUPAC name is (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate.

Molecular Properties

Compound Name(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
PubChem CID174858587
Molecular FormulaC17H31NO5Si
Molecular Weight357.52 g/mol
Exact Mass357.20
IUPAC Name(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate
SMILESCCOC(CCCN)(O[Si](OC)(OCC)OCC)c1ccccc1
InChIInChI=1S/C17H31NO5Si/c1-5-20-17(14-11-15-18,16-12-9-8-10-13-16)23-24(19-4,21-6-2)22-7-3/h8-10,12-13H,5-7,11,14-15,18H2,1-4H3
InChIKeyJQEMEONXYYQPFP-UHFFFAOYSA-N
XLogP2.79
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(5-amino-2-ethoxypentan-2-yl) diethyl methyl silicate
CID 174781513
(4-amino-1-ethoxy-1-trimethylsilylbutyl) diethyl methyl silicate
CID 174747966
(4-amino-1-ethoxybutyl) diethyl methyl silicate;toluene
CID 174801068
4-(5,5-diethoxy-5-phenylpentoxy)-3-methoxyaniline
CID 154731977
3-[diethoxy(methyl)silyl]propan-1-amine;tetramethyl silicate
CID 160657571
dimethoxy(diphenyl)silane;triethoxy(phenyl)silane
CID 174286071
3-[3-aminopropyl(diethoxy)silyl]oxy-1-phenylpentan-3-amine
CID 175434467
2,2-diethoxy-2-pyridin-3-ylethanamine
CID 10987537
3-phenyl-5-trimethoxysilylpentane-1,3-diamine
CID 174890020
3,3,3-triphenylpropan-1-amine
CID 10125450
(1-ethenoxy-1-ethoxybut-3-enyl)benzene
CID 175202347
2-ethoxy-2-phenyldecan-1-ol
CID 66778528

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate?
The IUPAC name of (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate (CID 174858587) is (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate.
What is the SMILES notation for (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate?
The canonical SMILES for (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate is CCOC(CCCN)(O[Si](OC)(OCC)OCC)c1ccccc1.
What is the InChIKey of (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate?
The InChIKey is JQEMEONXYYQPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5Si/c1-5-20-17(14-11-15-18,16-12-9-8-10-13-16)23-24(19-4,21-6-2)22-7-3/h8-10,12-13H,5-7,11,14-15,18H2,1-4H3.
What are the key properties of (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate?
(4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate has a molecular weight of 357.52 g/mol, XLogP of 2.79, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethoxy-1-phenylbutyl) diethyl methyl silicate is sourced from PubChem (CID 174858587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).