2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol

C11H17NO — CID 67831453

IUPAC2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol
SMILESOCCN1CCCC2CC=CC=C21
InChIInChI=1S/C11H17NO/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,6,10,13H,3-5,7-9H2
InChIKeyZNMQHUUFXBZNTR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.53
Rot. Bonds2

About 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol

2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol (PubChem CID 67831453) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol
PubChem CID67831453
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol
SMILESOCCN1CCCC2CC=CC=C21
InChIInChI=1S/C11H17NO/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,6,10,13H,3-5,7-9H2
InChIKeyZNMQHUUFXBZNTR-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
The IUPAC name of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol (CID 67831453) is 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol.
What is the SMILES notation for 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
The canonical SMILES for 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol is OCCN1CCCC2CC=CC=C21.
What is the InChIKey of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
The InChIKey is ZNMQHUUFXBZNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-9-8-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,6,10,13H,3-5,7-9H2.
What are the key properties of 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol is sourced from PubChem (CID 67831453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).