2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine

C11H11F3N2 — CID 135397461

IUPAC2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine
SMILESCN1C=Cc2ccc(C(F)(F)F)cc2C1N
InChIInChI=1S/C11H11F3N2/c1-16-5-4-7-2-3-8(11(12,13)14)6-9(7)10(16)15/h2-6,10H,15H2,1H3
InChIKeyKUASHLDZCUYAGY-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.58
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine

2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine (PubChem CID 135397461) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine
PubChem CID135397461
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine
SMILESCN1C=Cc2ccc(C(F)(F)F)cc2C1N
InChIInChI=1S/C11H11F3N2/c1-16-5-4-7-2-3-8(11(12,13)14)6-9(7)10(16)15/h2-6,10H,15H2,1H3
InChIKeyKUASHLDZCUYAGY-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(trifluoromethyl)-1H-isoquinolin-1-amine
CID 135394773
[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine
CID 82625624
2-[2-methyl-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 102756353
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-amine
CID 22735273
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-3H-indol-2-one
CID 102339891
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
2-cyclohexyl-4-(trifluoromethyl)aniline
CID 117104242
(1R)-1-methyl-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 118084320
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
2-(chloromethyl)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpyrrolidine
CID 107304175
3-benzyl-1-methyl-5-(trifluoromethyl)-3H-indol-2-one
CID 102325825
(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 58591930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine (CID 135397461) is 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine is CN1C=Cc2ccc(C(F)(F)F)cc2C1N.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine?
The InChIKey is KUASHLDZCUYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-16-5-4-7-2-3-8(11(12,13)14)6-9(7)10(16)15/h2-6,10H,15H2,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine?
2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine has a molecular weight of 228.22 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-1H-isoquinolin-1-amine is sourced from PubChem (CID 135397461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).