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

C13H17F3N2O — CID 174915325

IUPAC6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine
SMILESCOc1ccc2c(c1)C(N)CN(CC(F)(F)F)C2C
InChIInChI=1S/C13H17F3N2O/c1-8-10-4-3-9(19-2)5-11(10)12(17)6-18(8)7-13(14,15)16/h3-5,8,12H,6-7,17H2,1-2H3
InChIKeyANEZXRWTVXIYSB-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.63
Rot. Bonds2

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

6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine (PubChem CID 174915325) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine
PubChem CID174915325
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine
SMILESCOc1ccc2c(c1)C(N)CN(CC(F)(F)F)C2C
InChIInChI=1S/C13H17F3N2O/c1-8-10-4-3-9(19-2)5-11(10)12(17)6-18(8)7-13(14,15)16/h3-5,8,12H,6-7,17H2,1-2H3
InChIKeyANEZXRWTVXIYSB-UHFFFAOYSA-N
XLogP2.63
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-ol
CID 174915912
6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinoline
CID 174915257
(6-methoxy-3-methyl-2,3-dihydro-1H-inden-1-yl)methanol
CID 14967720
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786
1-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4,5-trione
CID 9285424
7-methoxy-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82887329
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
1-[[5-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 167531121
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
6-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84620622

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine?
The IUPAC name of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine (CID 174915325) is 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine.
What is the SMILES notation for 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine?
The canonical SMILES for 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine is COc1ccc2c(c1)C(N)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-amine?
The InChIKey is ANEZXRWTVXIYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-8-10-4-3-9(19-2)5-11(10)12(17)6-18(8)7-13(14,15)16/h3-5,8,12H,6-7,17H2,1-2H3.
What are the key properties of 6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine?
6-methoxy-1-methyl-2-(2,2,2-trifluoroethyl)-3,4-dihydro-1H-isoquinolin-4-amine has a molecular weight of 274.29 g/mol, XLogP of 2.63, 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-amine is sourced from PubChem (CID 174915325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).