[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate

C18H29N2O5P — CID 168931152

IUPAC[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCn1cc(CCN(C)C)c2ccc(OC)cc21
InChIInChI=1S/C18H29N2O5P/c1-6-23-26(21,24-7-2)25-14-20-13-15(10-11-19(3)4)17-9-8-16(22-5)12-18(17)20/h8-9,12-13H,6-7,10-11,14H2,1-5H3
InChIKeyRDYZJBJWRAKSJA-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.91
Rot. Bonds11

About [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate

[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate (PubChem CID 168931152) has the molecular formula C18H29N2O5P and a molecular weight of 384.41 g/mol. Its IUPAC name is [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate.

Molecular Properties

Compound Name[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate
PubChem CID168931152
Molecular FormulaC18H29N2O5P
Molecular Weight384.41 g/mol
Exact Mass384.18
IUPAC Name[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate
SMILESCCOP(=O)(OCC)OCn1cc(CCN(C)C)c2ccc(OC)cc21
InChIInChI=1S/C18H29N2O5P/c1-6-23-26(21,24-7-2)25-14-20-13-15(10-11-19(3)4)17-9-8-16(22-5)12-18(17)20/h8-9,12-13H,6-7,10-11,14H2,1-5H3
InChIKeyRDYZJBJWRAKSJA-UHFFFAOYSA-N
XLogP3.91
TPSA62.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl phosphate
CID 168931246
cyclohexyl [cyclohexyloxycarbonyloxymethoxy-[[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methoxy]phosphoryl]oxymethyl carbonate
CID 168930996
[[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
CID 168837266
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-(phenoxycarbonyloxymethoxy)phosphoryl]oxymethyl phenyl carbonate
CID 167307231
[[3-[2-(dimethylamino)ethyl]indol-1-yl]methoxy-[(2-phenylacetyl)oxymethoxy]phosphoryl]oxymethyl 2-phenylacetate
CID 166467368
2-[5-methoxy-1-(2-phenylethyl)indol-3-yl]-N,N-dimethylethanamine
CID 3028951
N-(dimethylsulfamoyl)-2-[6-methoxy-1-(2-methylpropyl)indol-3-yl]-N-methylethanamine
CID 166910854
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011

Frequently Asked Questions

What is the IUPAC name of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate?
The IUPAC name of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate (CID 168931152) is [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate.
What is the SMILES notation for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate?
The canonical SMILES for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate is CCOP(=O)(OCC)OCn1cc(CCN(C)C)c2ccc(OC)cc21.
What is the InChIKey of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate?
The InChIKey is RDYZJBJWRAKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N2O5P/c1-6-23-26(21,24-7-2)25-14-20-13-15(10-11-19(3)4)17-9-8-16(22-5)12-18(17)20/h8-9,12-13H,6-7,10-11,14H2,1-5H3.
What are the key properties of [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate?
[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate has a molecular weight of 384.41 g/mol, XLogP of 3.91, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]methyl diethyl phosphate is sourced from PubChem (CID 168931152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).