trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide

C19H23IN2O — CID 134990594

IUPACtrimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide
SMILESC[N+](C)(C)Cc1cc2c(OCc3ccccc3)cccc2[nH]1.[I-]
InChIInChI=1S/C19H23N2O.HI/c1-21(2,3)13-16-12-17-18(20-16)10-7-11-19(17)22-14-15-8-5-4-6-9-15;/h4-12,20H,13-14H2,1-3H3;1H/q+1;/p-1
InChIKeyZKOVBBQAVGCWFC-UHFFFAOYSA-M
MW422.31 g/mol
LogP0.96
Rot. Bonds5

About trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide

trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide (PubChem CID 134990594) has the molecular formula C19H23IN2O and a molecular weight of 422.31 g/mol. Its IUPAC name is trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide
PubChem CID134990594
Molecular FormulaC19H23IN2O
Molecular Weight422.31 g/mol
Exact Mass422.09
IUPAC Nametrimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide
SMILESC[N+](C)(C)Cc1cc2c(OCc3ccccc3)cccc2[nH]1.[I-]
InChIInChI=1S/C19H23N2O.HI/c1-21(2,3)13-16-12-17-18(20-16)10-7-11-19(17)22-14-15-8-5-4-6-9-15;/h4-12,20H,13-14H2,1-3H3;1H/q+1;/p-1
InChIKeyZKOVBBQAVGCWFC-UHFFFAOYSA-M
XLogP0.96
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-phenylmethoxy-1H-indol-2-yl)ethanol
CID 152723537
2-methyl-5-(4-phenylmethoxy-1H-indol-2-yl)-1,3,4-oxadiazole
CID 135794304
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
3-phenylmethoxy-1H-indol-2-amine
CID 152577928
(4-amino-3-ethanimidoylphenyl)-(4-phenylmethoxy-1H-indol-2-yl)methanone
CID 138614967
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
(3-methyl-4-phenylmethoxy-1H-indol-2-yl)methanol
CID 154159403
2-(4-methoxy-1H-indol-2-yl)acetic acid
CID 28806414
5-phenylmethoxynaphthalen-2-ol
CID 71348952
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
2-[(2-chlorophenoxy)methyl]-1H-indole-4-carboxylic acid
CID 117173534
3-diethoxyphosphoryl-5-phenylmethoxy-9H-pyrido[3,4-b]indole;3-diethoxyphosphoryl-9H-pyrido[3,4-b]indole
CID 88644963

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide?
The IUPAC name of trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide (CID 134990594) is trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide.
What is the SMILES notation for trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide?
The canonical SMILES for trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide is C[N+](C)(C)Cc1cc2c(OCc3ccccc3)cccc2[nH]1.[I-].
What is the InChIKey of trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide?
The InChIKey is ZKOVBBQAVGCWFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H23N2O.HI/c1-21(2,3)13-16-12-17-18(20-16)10-7-11-19(17)22-14-15-8-5-4-6-9-15;/h4-12,20H,13-14H2,1-3H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide?
trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide has a molecular weight of 422.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-phenylmethoxy-1H-indol-2-yl)methyl]azanium iodide is sourced from PubChem (CID 134990594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).