1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine

C20H30N2O — CID 24771157

IUPAC1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
SMILESc1cc2c(cc1OCCN1CCCC1)CCCC2N1CCCC1
InChIInChI=1S/C20H30N2O/c1-2-11-21(10-1)14-15-23-18-8-9-19-17(16-18)6-5-7-20(19)22-12-3-4-13-22/h8-9,16,20H,1-7,10-15H2
InChIKeyQILDTHQFZMSQTG-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.63
Rot. Bonds5

About 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine

1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine (PubChem CID 24771157) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
PubChem CID24771157
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
SMILESc1cc2c(cc1OCCN1CCCC1)CCCC2N1CCCC1
InChIInChI=1S/C20H30N2O/c1-2-11-21(10-1)14-15-23-18-8-9-19-17(16-18)6-5-7-20(19)22-12-3-4-13-22/h8-9,16,20H,1-7,10-15H2
InChIKeyQILDTHQFZMSQTG-UHFFFAOYSA-N
XLogP3.63
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-pyrrolidin-1-yl-2,3-dihydro-1H-inden-5-yl)oxy]ethyl]piperidine
CID 24771108
9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 143379957
1-[3-[[6-(pyrrolidin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]oxy]propyl]piperidine
CID 11545198
1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
1-cyclobutyl-6-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 91215800
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
6-methoxy-2-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 22960586
1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054
2-[(6S,10bS)-9-(3-piperidin-1-ylpropoxy)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinolin-6-yl]phenol
CID 59383330
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The IUPAC name of 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine (CID 24771157) is 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine.
What is the SMILES notation for 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The canonical SMILES for 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine is c1cc2c(cc1OCCN1CCCC1)CCCC2N1CCCC1.
What is the InChIKey of 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
The InChIKey is QILDTHQFZMSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-11-21(10-1)14-15-23-18-8-9-19-17(16-18)6-5-7-20(19)22-12-3-4-13-22/h8-9,16,20H,1-7,10-15H2.
What are the key properties of 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine?
1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine has a molecular weight of 314.47 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-pyrrolidin-1-ylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine is sourced from PubChem (CID 24771157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).