3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline

C17H23NSi — CID 103437428

IUPAC3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCc1cccc(NCc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C17H23NSi/c1-14-6-5-7-16(12-14)18-13-15-8-10-17(11-9-15)19(2,3)4/h5-12,18H,13H2,1-4H3
InChIKeyRKSZJUIMDXDBKO-UHFFFAOYSA-N
MW269.46 g/mol
LogP4.15
Rot. Bonds4

About 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline

3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline (PubChem CID 103437428) has the molecular formula C17H23NSi and a molecular weight of 269.46 g/mol. Its IUPAC name is 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
PubChem CID103437428
Molecular FormulaC17H23NSi
Molecular Weight269.46 g/mol
Exact Mass269.16
IUPAC Name3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
SMILESCc1cccc(NCc2ccc([Si](C)(C)C)cc2)c1
InChIInChI=1S/C17H23NSi/c1-14-6-5-7-16(12-14)18-13-15-8-10-17(11-9-15)19(2,3)4/h5-12,18H,13H2,1-4H3
InChIKeyRKSZJUIMDXDBKO-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-methylaniline
CID 15533172
3-methyl-N-[(4-propylphenyl)methyl]aniline
CID 94687555
3-methyl-N-[[4-[6-(4-methylphenyl)-1,2,4,5-tetraoxan-3-yl]phenyl]methyl]aniline
CID 53328328
4-[(3-methylanilino)methyl]benzamide
CID 28564307
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
2,3-dimethyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437518
2,6-dibromo-4-[(3-methylanilino)methyl]phenol
CID 103619387
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103720504
2,6-dichloro-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437879
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399139
2-[4-[(3-methylanilino)methyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 126267882

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline (CID 103437428) is 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline is Cc1cccc(NCc2ccc([Si](C)(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
The InChIKey is RKSZJUIMDXDBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NSi/c1-14-6-5-7-16(12-14)18-13-15-8-10-17(11-9-15)19(2,3)4/h5-12,18H,13H2,1-4H3.
What are the key properties of 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline?
3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline has a molecular weight of 269.46 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline is sourced from PubChem (CID 103437428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).