6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine

C12H11F3N2O — CID 90169321

IUPAC6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine
SMILESCOCc1ccc2c(C(F)(F)F)ncc(N)c2c1
InChIInChI=1S/C12H11F3N2O/c1-18-6-7-2-3-8-9(4-7)10(16)5-17-11(8)12(13,14)15/h2-5H,6,16H2,1H3
InChIKeyBWSXQMANFANMAZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.98
Rot. Bonds2

About 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine

6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine (PubChem CID 90169321) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine
PubChem CID90169321
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine
SMILESCOCc1ccc2c(C(F)(F)F)ncc(N)c2c1
InChIInChI=1S/C12H11F3N2O/c1-18-6-7-2-3-8-9(4-7)10(16)5-17-11(8)12(13,14)15/h2-5H,6,16H2,1H3
InChIKeyBWSXQMANFANMAZ-UHFFFAOYSA-N
XLogP2.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Isoquinolin-6-yl-5-(methylamino)-4,5-dihydro-1,3-oxazole-4-carbonitrile
CID 145996302
7-(Methoxymethyl)isoquinoline
CID 23080891
(3-Amino-2-fluoropropyl) quinoline-4-carboximidate
CID 21653043
1-(5-(Trifluoromethyl)quinolin-8-yl)ethyl 2,2,2-trichloroacetimidate
CID 57548111
5-(Methoxymethyl)-2-[4-(trifluoromethyl)phenyl]pyridine
CID 57825878
4-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]quinoline
CID 58044376
2-[4-(Methoxymethyl)phenyl]-5-(trifluoromethyl)pyridine
CID 58973042
3-(Methoxymethyl)-4-phenyl-8-(trifluoromethyl)quinoline
CID 66913756
4-(3-Fluorophenyl)-6-(methoxymethyl)isoquinoline-3-carbonitrile
CID 67013233
7-[(2-Fluorophenyl)methoxymethyl]isoquinoline
CID 67075433
5-(1,1-Difluoropropoxymethyl)quinoline
CID 68081486
3-[1-(1,1-Difluoropropoxy)ethyl]quinoline
CID 68081503

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine?
The IUPAC name of 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine (CID 90169321) is 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine is COCc1ccc2c(C(F)(F)F)ncc(N)c2c1.
What is the InChIKey of 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine?
The InChIKey is BWSXQMANFANMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-18-6-7-2-3-8-9(4-7)10(16)5-17-11(8)12(13,14)15/h2-5H,6,16H2,1H3.
What are the key properties of 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine?
6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine has a molecular weight of 256.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-(trifluoromethyl)isoquinolin-4-amine is sourced from PubChem (CID 90169321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).