6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol

C13H16F3NO2 — CID 174915912

IUPAC6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)CN(CC(F)(F)F)C2C
InChIInChI=1S/C13H16F3NO2/c1-8-10-4-3-9(19-2)5-11(10)12(18)6-17(8)7-13(14,15)16/h3-5,8,12,18H,6-7H2,1-2H3
InChIKeyOXJIIFCQWFAYBP-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.67
Rot. Bonds2

About 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol

6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol (PubChem CID 174915912) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol
PubChem CID174915912
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)CN(CC(F)(F)F)C2C
InChIInChI=1S/C13H16F3NO2/c1-8-10-4-3-9(19-2)5-11(10)12(18)6-17(8)7-13(14,15)16/h3-5,8,12,18H,6-7H2,1-2H3
InChIKeyOXJIIFCQWFAYBP-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol with MolForge

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Related Compounds

6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine
CID 174915325
6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 174915257
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol;hydrochloride
CID 162061488
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
6-methoxy-2-(2-sulfanylethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 144821041
7-methoxy-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 114714275
6-methoxy-2-[methyl(2,2,2-trifluoroethyl)amino]-2,3-dihydro-1H-inden-1-ol
CID 79374795
1-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
CID 9285424
[5-methoxy-1-(2,2,2-trifluoroethyl)indol-2-yl]methanol
CID 166624600
(1S)-6-methoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837765
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
7-methoxy-2-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79248625

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol?
The IUPAC name of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol (CID 174915912) is 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol.
What is the SMILES notation for 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol?
The canonical SMILES for 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol is COc1ccc2c(c1)C(O)CN(CC(F)(F)F)C2C.
What is the InChIKey of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol?
The InChIKey is OXJIIFCQWFAYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8-10-4-3-9(19-2)5-11(10)12(18)6-17(8)7-13(14,15)16/h3-5,8,12,18H,6-7H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol?
6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol has a molecular weight of 275.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol is sourced from PubChem (CID 174915912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).