2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

C17H25NO — CID 83221338

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC1CCC(C)N1C1CCc2ccccc2C1O
InChIInChI=1S/C17H25NO/c1-3-14-10-8-12(2)18(14)16-11-9-13-6-4-5-7-15(13)17(16)19/h4-7,12,14,16-17,19H,3,8-11H2,1-2H3
InChIKeyDSTQAEVBFHAYPF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.30
Rot. Bonds2

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 83221338) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID83221338
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCCC1CCC(C)N1C1CCc2ccccc2C1O
InChIInChI=1S/C17H25NO/c1-3-14-10-8-12(2)18(14)16-11-9-13-6-4-5-7-15(13)17(16)19/h4-7,12,14,16-17,19H,3,8-11H2,1-2H3
InChIKeyDSTQAEVBFHAYPF-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 83221338) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is CCC1CCC(C)N1C1CCc2ccccc2C1O.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is DSTQAEVBFHAYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-14-10-8-12(2)18(14)16-11-9-13-6-4-5-7-15(13)17(16)19/h4-7,12,14,16-17,19H,3,8-11H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 83221338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).