2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol

C14H23NO2 — CID 86742540

IUPAC2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol
SMILESCOC1=C2C(CCC(C)N2CCO)C(C)C=C1
InChIInChI=1S/C14H23NO2/c1-10-4-7-13(17-3)14-12(10)6-5-11(2)15(14)8-9-16/h4,7,10-12,16H,5-6,8-9H2,1-3H3
InChIKeyBZPQELPJTONIQD-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.14
Rot. Bonds3

About 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol

2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol (PubChem CID 86742540) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol.

Molecular Properties

Compound Name2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol
PubChem CID86742540
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol
SMILESCOC1=C2C(CCC(C)N2CCO)C(C)C=C1
InChIInChI=1S/C14H23NO2/c1-10-4-7-13(17-3)14-12(10)6-5-11(2)15(14)8-9-16/h4,7,10-12,16H,5-6,8-9H2,1-3H3
InChIKeyBZPQELPJTONIQD-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
The IUPAC name of 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol (CID 86742540) is 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol.
What is the SMILES notation for 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
The canonical SMILES for 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol is COC1=C2C(CCC(C)N2CCO)C(C)C=C1.
What is the InChIKey of 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
The InChIKey is BZPQELPJTONIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-4-7-13(17-3)14-12(10)6-5-11(2)15(14)8-9-16/h4,7,10-12,16H,5-6,8-9H2,1-3H3.
What are the key properties of 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol?
2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol has a molecular weight of 237.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-2,5-dimethyl-3,4,4a,5-tetrahydro-2H-quinolin-1-yl)ethanol is sourced from PubChem (CID 86742540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).