4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole

C17H24N2O — CID 83162517

IUPAC4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2CCN1CCCC1
InChIInChI=1S/C17H24N2O/c1-14(2)20-17-7-5-6-16-15(17)8-11-19(16)13-12-18-9-3-4-10-18/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3
InChIKeyULPXMAJGJOCYGG-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.52
Rot. Bonds5

About 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole

4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole (PubChem CID 83162517) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole.

Molecular Properties

Compound Name4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
PubChem CID83162517
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
SMILESCC(C)Oc1cccc2c1ccn2CCN1CCCC1
InChIInChI=1S/C17H24N2O/c1-14(2)20-17-7-5-6-16-15(17)8-11-19(16)13-12-18-9-3-4-10-18/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3
InChIKeyULPXMAJGJOCYGG-UHFFFAOYSA-N
XLogP3.52
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83164753
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016
N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-1-amine
CID 83163508
5-(4-propan-2-yloxyindol-1-yl)pentanoic acid
CID 83163319
1-hept-6-enyl-4-propan-2-yloxyindole
CID 107010208
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469
4-propan-2-yloxy-1-(2-thiophen-3-ylethyl)indole
CID 83163450
4-propan-2-yloxy-1-(pyrimidin-2-ylmethyl)indole
CID 83174058

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole?
The IUPAC name of 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole (CID 83162517) is 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole.
What is the SMILES notation for 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole?
The canonical SMILES for 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole is CC(C)Oc1cccc2c1ccn2CCN1CCCC1.
What is the InChIKey of 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole?
The InChIKey is ULPXMAJGJOCYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-14(2)20-17-7-5-6-16-15(17)8-11-19(16)13-12-18-9-3-4-10-18/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole?
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole has a molecular weight of 272.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole is sourced from PubChem (CID 83162517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).