2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline

C25H31NO2Si — CID 67559581

IUPAC2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline
SMILESCCO[Si](C)(CCc1ccccc1N(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C25H31NO2Si/c1-4-27-29(3,28-5-2)21-20-22-14-12-13-19-25(22)26(23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-19H,4-5,20-21H2,1-3H3
InChIKeyYMQOIZYRILWISQ-UHFFFAOYSA-N
MW405.61 g/mol
LogP6.84
Rot. Bonds10

About 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline

2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline (PubChem CID 67559581) has the molecular formula C25H31NO2Si and a molecular weight of 405.61 g/mol. Its IUPAC name is 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline
PubChem CID67559581
Molecular FormulaC25H31NO2Si
Molecular Weight405.61 g/mol
Exact Mass405.21
IUPAC Name2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline
SMILESCCO[Si](C)(CCc1ccccc1N(c1ccccc1)c1ccccc1)OCC
InChIInChI=1S/C25H31NO2Si/c1-4-27-29(3,28-5-2)21-20-22-14-12-13-19-25(22)26(23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-19H,4-5,20-21H2,1-3H3
InChIKeyYMQOIZYRILWISQ-UHFFFAOYSA-N
XLogP6.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[diethoxy(methyl)silyl]ethyl]phenyl]sulfanyloxysulfanylphenyl]ethyl-diethoxy-methylsilane
CID 19834367
2-(fluoromethyl)-N,N-diphenylaniline
CID 152695468
2-[2-[2-[dimethoxy(methyl)silyl]ethyl]phenyl]ethyl-dimethoxy-methylsilane
CID 66883166
2-(2-aminoethyl)-N-methyl-N-phenylaniline
CID 63784561
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
CID 66634309
ethoxy-(ethoxy-methyl-phenylsilyl)-methyl-phenylsilane
CID 19809309
1-[ethoxy-methyl-(5-phenylpentyl)silyl]oxyethanethiol
CID 154190477
benzamide;3-[diethoxy(methyl)silyl]propan-1-ol
CID 174755991
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
CID 91419516
2-butoxy-N,N-diphenylaniline
CID 154486534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline?
The IUPAC name of 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline (CID 67559581) is 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline is CCO[Si](C)(CCc1ccccc1N(c1ccccc1)c1ccccc1)OCC.
What is the InChIKey of 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline?
The InChIKey is YMQOIZYRILWISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO2Si/c1-4-27-29(3,28-5-2)21-20-22-14-12-13-19-25(22)26(23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-19H,4-5,20-21H2,1-3H3.
What are the key properties of 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline?
2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline has a molecular weight of 405.61 g/mol, XLogP of 6.84, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[diethoxy(methyl)silyl]ethyl]-N,N-diphenylaniline is sourced from PubChem (CID 67559581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).