2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine

C18H25N2O3P — CID 166467723

IUPAC2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(P(=O)(OC2CC2)OC2CC2)c2ccccc12
InChIInChI=1S/C18H25N2O3P/c1-19(2)12-11-14-13-20(18-6-4-3-5-17(14)18)24(21,22-15-7-8-15)23-16-9-10-16/h3-6,13,15-16H,7-12H2,1-2H3
InChIKeyHEWHHYRQTCRYET-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.06
Rot. Bonds8

About 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine

2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine (PubChem CID 166467723) has the molecular formula C18H25N2O3P and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine
PubChem CID166467723
Molecular FormulaC18H25N2O3P
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine
SMILESCN(C)CCc1cn(P(=O)(OC2CC2)OC2CC2)c2ccccc12
InChIInChI=1S/C18H25N2O3P/c1-19(2)12-11-14-13-20(18-6-4-3-5-17(14)18)24(21,22-15-7-8-15)23-16-9-10-16/h3-6,13,15-16H,7-12H2,1-2H3
InChIKeyHEWHHYRQTCRYET-UHFFFAOYSA-N
XLogP4.06
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[[3-[2-(dimethylamino)ethyl]indol-1-yl]-[(1-methyl-4H-pyridine-3-carbonyl)oxymethoxy]phosphoryl]oxymethyl 1-methyl-4H-pyridine-3-carboxylate
CID 166467397
3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
CID 166467769
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
2-(1-ethylindol-3-yl)-N,N-dimethylethanamine;formic acid
CID 166467492
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467776
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234
3-(1-cyclopentylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 170866965
[3-[2-(dimethylamino)ethyl]indol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 166467266
propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506

Frequently Asked Questions

What is the IUPAC name of 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine (CID 166467723) is 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine is CN(C)CCc1cn(P(=O)(OC2CC2)OC2CC2)c2ccccc12.
What is the InChIKey of 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine?
The InChIKey is HEWHHYRQTCRYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O3P/c1-19(2)12-11-14-13-20(18-6-4-3-5-17(14)18)24(21,22-15-7-8-15)23-16-9-10-16/h3-6,13,15-16H,7-12H2,1-2H3.
What are the key properties of 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine?
2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine has a molecular weight of 348.38 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dicyclopropyloxyphosphorylindol-3-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 166467723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).