[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate

C14H19N2O4P — CID 169222483

IUPAC[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate
SMILESC=CCN(C)CCc1c[nH]c2ccc(OP(=O)(O)O)cc12
InChIInChI=1S/C14H19N2O4P/c1-3-7-16(2)8-6-11-10-15-14-5-4-12(9-13(11)14)20-21(17,18)19/h3-5,9-10,15H,1,6-8H2,2H3,(H2,17,18,19)
InChIKeyRAUJBAWMSSNWDG-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.30
Rot. Bonds7

About [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate

[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate (PubChem CID 169222483) has the molecular formula C14H19N2O4P and a molecular weight of 310.29 g/mol. Its IUPAC name is [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate
PubChem CID169222483
Molecular FormulaC14H19N2O4P
Molecular Weight310.29 g/mol
Exact Mass310.11
IUPAC Name[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate
SMILESC=CCN(C)CCc1c[nH]c2ccc(OP(=O)(O)O)cc12
InChIInChI=1S/C14H19N2O4P/c1-3-7-16(2)8-6-11-10-15-14-5-4-12(9-13(11)14)20-21(17,18)19/h3-5,9-10,15H,1,6-8H2,2H3,(H2,17,18,19)
InChIKeyRAUJBAWMSSNWDG-UHFFFAOYSA-N
XLogP2.30
TPSA85.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-3-oxopropanoic acid
CID 169222205
5-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-5-oxopentanoic acid
CID 169222343
4-[[3-[2-[ethyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222564
6-[[3-[2-[bis(prop-2-enyl)amino]ethyl]-1H-indol-5-yl]oxy]-6-oxohexanoic acid
CID 169222262
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 22144617
N-[2-(7-methoxy-1H-indol-3-yl)ethyl]-N-methylprop-2-en-1-amine
CID 169222305
N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
2-[5-(4-methoxyphenoxy)-1H-indol-3-yl]-N,N-dimethylethanamine;oxalic acid
CID 19042892

Frequently Asked Questions

What is the IUPAC name of [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate?
The IUPAC name of [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate (CID 169222483) is [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate.
What is the SMILES notation for [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate?
The canonical SMILES for [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate is C=CCN(C)CCc1c[nH]c2ccc(OP(=O)(O)O)cc12.
What is the InChIKey of [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate?
The InChIKey is RAUJBAWMSSNWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2O4P/c1-3-7-16(2)8-6-11-10-15-14-5-4-12(9-13(11)14)20-21(17,18)19/h3-5,9-10,15H,1,6-8H2,2H3,(H2,17,18,19).
What are the key properties of [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate?
[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate has a molecular weight of 310.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-5-yl] dihydrogen phosphate is sourced from PubChem (CID 169222483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).