4-iodo-3-(2-trimethylsilylethynyl)aniline

C11H14INSi — CID 174149148

IUPAC4-iodo-3-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc(N)ccc1I
InChIInChI=1S/C11H14INSi/c1-14(2,3)7-6-9-8-10(13)4-5-11(9)12/h4-5,8H,13H2,1-3H3
InChIKeyQEFHDCGSAFDMJT-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.10
Rot. Bonds

About 4-iodo-3-(2-trimethylsilylethynyl)aniline

4-iodo-3-(2-trimethylsilylethynyl)aniline (PubChem CID 174149148) has the molecular formula C11H14INSi and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-iodo-3-(2-trimethylsilylethynyl)aniline.

Molecular Properties

Compound Name4-iodo-3-(2-trimethylsilylethynyl)aniline
PubChem CID174149148
Molecular FormulaC11H14INSi
Molecular Weight315.23 g/mol
Exact Mass314.99
IUPAC Name4-iodo-3-(2-trimethylsilylethynyl)aniline
SMILESC[Si](C)(C)C#Cc1cc(N)ccc1I
InChIInChI=1S/C11H14INSi/c1-14(2,3)7-6-9-8-10(13)4-5-11(9)12/h4-5,8H,13H2,1-3H3
InChIKeyQEFHDCGSAFDMJT-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodo-3-(2-trimethylsilylethynyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 171781768
6-bromo-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 172555112
ethynyl(trimethyl)silane;4-fluoro-2-iodoaniline;4-fluoro-2-(2-trimethylsilylethynyl)aniline
CID 159717629
6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 59853066
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
3-(2-trimethylsilylethynyl)pyridin-4-amine
CID 23521597
2-(4-iodo-3,5-dimethylphenyl)ethynyl-trimethylsilane
CID 141195498
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
CID 10752383
2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane
CID 170916693
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(2-trimethylsilylethynyl)aniline?
The IUPAC name of 4-iodo-3-(2-trimethylsilylethynyl)aniline (CID 174149148) is 4-iodo-3-(2-trimethylsilylethynyl)aniline.
What is the SMILES notation for 4-iodo-3-(2-trimethylsilylethynyl)aniline?
The canonical SMILES for 4-iodo-3-(2-trimethylsilylethynyl)aniline is C[Si](C)(C)C#Cc1cc(N)ccc1I.
What is the InChIKey of 4-iodo-3-(2-trimethylsilylethynyl)aniline?
The InChIKey is QEFHDCGSAFDMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INSi/c1-14(2,3)7-6-9-8-10(13)4-5-11(9)12/h4-5,8H,13H2,1-3H3.
What are the key properties of 4-iodo-3-(2-trimethylsilylethynyl)aniline?
4-iodo-3-(2-trimethylsilylethynyl)aniline has a molecular weight of 315.23 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(2-trimethylsilylethynyl)aniline is sourced from PubChem (CID 174149148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).