4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline

C22H25NSi — CID 23593074

IUPAC4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
SMILESCc1ccc([Si](C)(C)c2ccc(N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H25NSi/c1-18-10-14-21(15-11-18)24(3,4)22-16-12-20(13-17-22)23(2)19-8-6-5-7-9-19/h5-17H,1-4H3
InChIKeyPEMLFSWMWWCKPG-UHFFFAOYSA-N
MW331.54 g/mol
LogP4.59
Rot. Bonds4

About 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline

4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline (PubChem CID 23593074) has the molecular formula C22H25NSi and a molecular weight of 331.54 g/mol. Its IUPAC name is 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
PubChem CID23593074
Molecular FormulaC22H25NSi
Molecular Weight331.54 g/mol
Exact Mass331.18
IUPAC Name4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline
SMILESCc1ccc([Si](C)(C)c2ccc(N(C)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H25NSi/c1-18-10-14-21(15-11-18)24(3,4)22-16-12-20(13-17-22)23(2)19-8-6-5-7-9-19/h5-17H,1-4H3
InChIKeyPEMLFSWMWWCKPG-UHFFFAOYSA-N
XLogP4.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.54
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[dimethyl-(4-methylphenyl)silyl]phenyl]-N,4-dimethylaniline
CID 23593172
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-[4-[dimethyl-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]silyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71342733
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
CID 155621570
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
CID 58151391
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767

Frequently Asked Questions

What is the IUPAC name of 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline?
The IUPAC name of 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline (CID 23593074) is 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline?
The canonical SMILES for 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline is Cc1ccc([Si](C)(C)c2ccc(N(C)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline?
The InChIKey is PEMLFSWMWWCKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NSi/c1-18-10-14-21(15-11-18)24(3,4)22-16-12-20(13-17-22)23(2)19-8-6-5-7-9-19/h5-17H,1-4H3.
What are the key properties of 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline?
4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline has a molecular weight of 331.54 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethyl-(4-methylphenyl)silyl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 23593074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).