2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine

C17H31NO3Si — CID 67881129

IUPAC2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine
SMILESCCO[Si](C)(CCc1cccc(COCCNC)c1)OCC
InChIInChI=1S/C17H31NO3Si/c1-5-20-22(4,21-6-2)13-10-16-8-7-9-17(14-16)15-19-12-11-18-3/h7-9,14,18H,5-6,10-13,15H2,1-4H3
InChIKeyRKQBJWPVGMSHGH-UHFFFAOYSA-N
MW325.53 g/mol
LogP3.11
Rot. Bonds12

About 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine

2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine (PubChem CID 67881129) has the molecular formula C17H31NO3Si and a molecular weight of 325.53 g/mol. Its IUPAC name is 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine
PubChem CID67881129
Molecular FormulaC17H31NO3Si
Molecular Weight325.53 g/mol
Exact Mass325.21
IUPAC Name2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine
SMILESCCO[Si](C)(CCc1cccc(COCCNC)c1)OCC
InChIInChI=1S/C17H31NO3Si/c1-5-20-22(4,21-6-2)13-10-16-8-7-9-17(14-16)15-19-12-11-18-3/h7-9,14,18H,5-6,10-13,15H2,1-4H3
InChIKeyRKQBJWPVGMSHGH-UHFFFAOYSA-N
XLogP3.11
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-ethenylphenyl)methoxy]propyl-diethoxy-methylsilane
CID 139617910
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 62338555
chloro-[3-[[3-[3-[chloro(dimethyl)silyl]propoxymethyl]phenyl]methoxy]propyl]-dimethylsilane
CID 90027286
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110915556
1-(2-ethoxyethoxymethyl)-3-fluorobenzene
CID 173202169
4-[2-(methylamino)ethoxymethyl]pyridine-2-carbonitrile
CID 63880788
1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpent-2-enamide
CID 76868296
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-phenylethyl)guanidine
CID 111135717
[4-[2-(methylamino)ethoxymethyl]phenyl]methanol
CID 106937841
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 62445450
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine?
The IUPAC name of 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine (CID 67881129) is 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine.
What is the SMILES notation for 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine?
The canonical SMILES for 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine is CCO[Si](C)(CCc1cccc(COCCNC)c1)OCC.
What is the InChIKey of 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine?
The InChIKey is RKQBJWPVGMSHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3Si/c1-5-20-22(4,21-6-2)13-10-16-8-7-9-17(14-16)15-19-12-11-18-3/h7-9,14,18H,5-6,10-13,15H2,1-4H3.
What are the key properties of 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine?
2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine has a molecular weight of 325.53 g/mol, XLogP of 3.11, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[diethoxy(methyl)silyl]ethyl]phenyl]methoxy]-N-methylethanamine is sourced from PubChem (CID 67881129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).