trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide

C18H21IN2 — CID 11452145

IUPACtrimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
SMILESC[N+](C)(C)Cc1c(-c2ccccc2)[nH]c2ccccc12.[I-]
InChIInChI=1S/C18H21N2.HI/c1-20(2,3)13-16-15-11-7-8-12-17(15)19-18(16)14-9-5-4-6-10-14;/h4-12,19H,13H2,1-3H3;1H/q+1;/p-1
InChIKeyGLXORSIMUJGDAG-UHFFFAOYSA-M
MW392.28 g/mol
LogP1.05
Rot. Bonds3

About trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide

trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide (PubChem CID 11452145) has the molecular formula C18H21IN2 and a molecular weight of 392.28 g/mol. Its IUPAC name is trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
PubChem CID11452145
Molecular FormulaC18H21IN2
Molecular Weight392.28 g/mol
Exact Mass392.07
IUPAC Nametrimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide
SMILESC[N+](C)(C)Cc1c(-c2ccccc2)[nH]c2ccccc12.[I-]
InChIInChI=1S/C18H21N2.HI/c1-20(2,3)13-16-15-11-7-8-12-17(15)19-18(16)14-9-5-4-6-10-14;/h4-12,19H,13H2,1-3H3;1H/q+1;/p-1
InChIKeyGLXORSIMUJGDAG-UHFFFAOYSA-M
XLogP1.05
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
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 trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide?
The IUPAC name of trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide (CID 11452145) is trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide.
What is the SMILES notation for trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide?
The canonical SMILES for trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide is C[N+](C)(C)Cc1c(-c2ccccc2)[nH]c2ccccc12.[I-].
What is the InChIKey of trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide?
The InChIKey is GLXORSIMUJGDAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21N2.HI/c1-20(2,3)13-16-15-11-7-8-12-17(15)19-18(16)14-9-5-4-6-10-14;/h4-12,19H,13H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide?
trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide has a molecular weight of 392.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2-phenyl-1H-indol-3-yl)methyl]azanium iodide is sourced from PubChem (CID 11452145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).