(2-iodophenyl)methyl-trimethylazanium

C10H15IN+ — CID 6453851

IUPAC(2-iodophenyl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1ccccc1I
InChIInChI=1S/C10H15IN/c1-12(2,3)8-9-6-4-5-7-10(9)11/h4-7H,8H2,1-3H3/q+1
InChIKeyBWGBWIGMDOMQQR-UHFFFAOYSA-N
MW276.14 g/mol
LogP2.50
Rot. Bonds2

About (2-iodophenyl)methyl-trimethylazanium

(2-iodophenyl)methyl-trimethylazanium (PubChem CID 6453851) has the molecular formula C10H15IN+ and a molecular weight of 276.14 g/mol. Its IUPAC name is (2-iodophenyl)methyl-trimethylazanium.

Molecular Properties

Compound Name(2-iodophenyl)methyl-trimethylazanium
PubChem CID6453851
Molecular FormulaC10H15IN+
Molecular Weight276.14 g/mol
Exact Mass276.02
IUPAC Name(2-iodophenyl)methyl-trimethylazanium
SMILESC[N+](C)(C)Cc1ccccc1I
InChIInChI=1S/C10H15IN/c1-12(2,3)8-9-6-4-5-7-10(9)11/h4-7H,8H2,1-3H3/q+1
InChIKeyBWGBWIGMDOMQQR-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)methyl-trimethylazanium?
The IUPAC name of (2-iodophenyl)methyl-trimethylazanium (CID 6453851) is (2-iodophenyl)methyl-trimethylazanium.
What is the SMILES notation for (2-iodophenyl)methyl-trimethylazanium?
The canonical SMILES for (2-iodophenyl)methyl-trimethylazanium is C[N+](C)(C)Cc1ccccc1I.
What is the InChIKey of (2-iodophenyl)methyl-trimethylazanium?
The InChIKey is BWGBWIGMDOMQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN/c1-12(2,3)8-9-6-4-5-7-10(9)11/h4-7H,8H2,1-3H3/q+1.
What are the key properties of (2-iodophenyl)methyl-trimethylazanium?
(2-iodophenyl)methyl-trimethylazanium has a molecular weight of 276.14 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)methyl-trimethylazanium is sourced from PubChem (CID 6453851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).