dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium

C17H21N2O5P — CID 139051934

IUPACdihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
SMILESO=P([O-])(O)O.[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H18N2O.H3O4P/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;1-5(2,3)4/h1-7,10-11,19H,8-9,12,18H2;(H3,1,2,3,4)
InChIKeyCAMACRSWCSNRFM-UHFFFAOYSA-N
MW364.34 g/mol
LogP0.97
Rot. Bonds5

About dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium

dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium (PubChem CID 139051934) has the molecular formula C17H21N2O5P and a molecular weight of 364.34 g/mol. Its IUPAC name is dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium.

Molecular Properties

Compound Namedihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
PubChem CID139051934
Molecular FormulaC17H21N2O5P
Molecular Weight364.34 g/mol
Exact Mass364.12
IUPAC Namedihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
SMILESO=P([O-])(O)O.[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H18N2O.H3O4P/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;1-5(2,3)4/h1-7,10-11,19H,8-9,12,18H2;(H3,1,2,3,4)
InChIKeyCAMACRSWCSNRFM-UHFFFAOYSA-N
XLogP0.97
TPSA133.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
5-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-2-propan-2-ylbenzamide
CID 70697319
2-(5-benzoyloxy-1H-indol-3-yl)ethylazanium acetate
CID 29114
2-nitro-6-[2-(5-phenylmethoxy-1H-indol-3-yl)ethylcarbamoyl]benzoic acid
CID 3545531

Frequently Asked Questions

What is the IUPAC name of dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium?
The IUPAC name of dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium (CID 139051934) is dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium.
What is the SMILES notation for dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium?
The canonical SMILES for dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium is O=P([O-])(O)O.[NH3+]CCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium?
The InChIKey is CAMACRSWCSNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.H3O4P/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13;1-5(2,3)4/h1-7,10-11,19H,8-9,12,18H2;(H3,1,2,3,4).
What are the key properties of dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium?
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium has a molecular weight of 364.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium is sourced from PubChem (CID 139051934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).