2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline

C13H23NO2Si — CID 135064984

IUPAC2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline
SMILESCC[Si](O)(CC)Cc1cc(OC)ccc1NC
InChIInChI=1S/C13H23NO2Si/c1-5-17(15,6-2)10-11-9-12(16-4)7-8-13(11)14-3/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyXZQJTBKARJRHTL-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.80
Rot. Bonds6

About 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline

2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline (PubChem CID 135064984) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline
PubChem CID135064984
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline
SMILESCC[Si](O)(CC)Cc1cc(OC)ccc1NC
InChIInChI=1S/C13H23NO2Si/c1-5-17(15,6-2)10-11-9-12(16-4)7-8-13(11)14-3/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyXZQJTBKARJRHTL-UHFFFAOYSA-N
XLogP2.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
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CID 66991664
1-(diaminomethylidene)-3-(2-ethyl-4-methoxyphenyl)urea
CID 20543767
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-N-methylnaphthalen-2-amine
CID 142261925
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088

Frequently Asked Questions

What is the IUPAC name of 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline?
The IUPAC name of 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline (CID 135064984) is 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline?
The canonical SMILES for 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline is CC[Si](O)(CC)Cc1cc(OC)ccc1NC.
What is the InChIKey of 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline?
The InChIKey is XZQJTBKARJRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-5-17(15,6-2)10-11-9-12(16-4)7-8-13(11)14-3/h7-9,14-15H,5-6,10H2,1-4H3.
What are the key properties of 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline?
2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline has a molecular weight of 253.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[diethyl(hydroxy)silyl]methyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 135064984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).