2-methyl-5-trimethylstannylaniline

C10H17NSn — CID 22173530

IUPAC2-methyl-5-trimethylstannylaniline
SMILESCc1ccc([Sn](C)(C)C)cc1N
InChIInChI=1S/C7H8N.3CH3.Sn/c1-6-4-2-3-5-7(6)8;;;;/h2,4-5H,8H2,1H3;3*1H3;
InChIKeyTXZQJPBIDCWGDN-UHFFFAOYSA-N
MW269.96 g/mol
LogP2.12
Rot. Bonds1

About 2-methyl-5-trimethylstannylaniline

2-methyl-5-trimethylstannylaniline (PubChem CID 22173530) has the molecular formula C10H17NSn and a molecular weight of 269.96 g/mol. Its IUPAC name is 2-methyl-5-trimethylstannylaniline.

Molecular Properties

Compound Name2-methyl-5-trimethylstannylaniline
PubChem CID22173530
Molecular FormulaC10H17NSn
Molecular Weight269.96 g/mol
Exact Mass271.04
IUPAC Name2-methyl-5-trimethylstannylaniline
SMILESCc1ccc([Sn](C)(C)C)cc1N
InChIInChI=1S/C7H8N.3CH3.Sn/c1-6-4-2-3-5-7(6)8;;;;/h2,4-5H,8H2,1H3;3*1H3;
InChIKeyTXZQJPBIDCWGDN-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.96
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-trimethylstannylaniline?
The IUPAC name of 2-methyl-5-trimethylstannylaniline (CID 22173530) is 2-methyl-5-trimethylstannylaniline.
What is the SMILES notation for 2-methyl-5-trimethylstannylaniline?
The canonical SMILES for 2-methyl-5-trimethylstannylaniline is Cc1ccc([Sn](C)(C)C)cc1N.
What is the InChIKey of 2-methyl-5-trimethylstannylaniline?
The InChIKey is TXZQJPBIDCWGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N.3CH3.Sn/c1-6-4-2-3-5-7(6)8;;;;/h2,4-5H,8H2,1H3;3*1H3;.
What are the key properties of 2-methyl-5-trimethylstannylaniline?
2-methyl-5-trimethylstannylaniline has a molecular weight of 269.96 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-trimethylstannylaniline is sourced from PubChem (CID 22173530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).