2-methyl-N-(2-trimethylsilylethynyl)aniline

C12H17NSi — CID 140972791

IUPAC2-methyl-N-(2-trimethylsilylethynyl)aniline
SMILESCc1ccccc1NC#C[Si](C)(C)C
InChIInChI=1S/C12H17NSi/c1-11-7-5-6-8-12(11)13-9-10-14(2,3)4/h5-8,13H,1-4H3
InChIKeyOLZZJGGINQLVND-UHFFFAOYSA-N
MW203.36 g/mol
LogP3.25
Rot. Bonds1

About 2-methyl-N-(2-trimethylsilylethynyl)aniline

2-methyl-N-(2-trimethylsilylethynyl)aniline (PubChem CID 140972791) has the molecular formula C12H17NSi and a molecular weight of 203.36 g/mol. Its IUPAC name is 2-methyl-N-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name2-methyl-N-(2-trimethylsilylethynyl)aniline
PubChem CID140972791
Molecular FormulaC12H17NSi
Molecular Weight203.36 g/mol
Exact Mass203.11
IUPAC Name2-methyl-N-(2-trimethylsilylethynyl)aniline
SMILESCc1ccccc1NC#C[Si](C)(C)C
InChIInChI=1S/C12H17NSi/c1-11-7-5-6-8-12(11)13-9-10-14(2,3)4/h5-8,13H,1-4H3
InChIKeyOLZZJGGINQLVND-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;ethane;N-ethynyl-2-methylaniline
CID 143604778
N,2-dimethylaniline
CID 163768915
N,N'-bis(2-methylphenyl)-1-trimethylsilylmethanedisulfonamide
CID 90121553
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
2-(2-methylanilino)acetonitrile
CID 28018
1,2-xylene
CID 173422016
CID 175798397
CID 175798397
N-(2-methylphenyl)-1H-pyrazol-4-amine
CID 125450527
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
N-(2-methylphenyl)oxetan-3-amine
CID 63624753
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934
1-imino-3-(2-methylphenyl)thiourea
CID 175716953

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 2-methyl-N-(2-trimethylsilylethynyl)aniline (CID 140972791) is 2-methyl-N-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 2-methyl-N-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 2-methyl-N-(2-trimethylsilylethynyl)aniline is Cc1ccccc1NC#C[Si](C)(C)C.
What is the InChIKey of 2-methyl-N-(2-trimethylsilylethynyl)aniline?
The InChIKey is OLZZJGGINQLVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NSi/c1-11-7-5-6-8-12(11)13-9-10-14(2,3)4/h5-8,13H,1-4H3.
What are the key properties of 2-methyl-N-(2-trimethylsilylethynyl)aniline?
2-methyl-N-(2-trimethylsilylethynyl)aniline has a molecular weight of 203.36 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 140972791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).