4-methyl-8-(trifluoromethyl)isoquinolin-1-amine

C11H9F3N2 — CID 115063049

IUPAC4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
SMILESCc1cnc(N)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2/c1-6-5-16-10(15)9-7(6)3-2-4-8(9)11(12,13)14/h2-5H,1H3,(H2,15,16)
InChIKeyOKGNXOGKMRDQTB-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.14
Rot. Bonds

About 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine

4-methyl-8-(trifluoromethyl)isoquinolin-1-amine (PubChem CID 115063049) has the molecular formula C11H9F3N2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
PubChem CID115063049
Molecular FormulaC11H9F3N2
Molecular Weight226.20 g/mol
Exact Mass226.07
IUPAC Name4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
SMILESCc1cnc(N)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C11H9F3N2/c1-6-5-16-10(15)9-7(6)3-2-4-8(9)11(12,13)14/h2-5H,1H3,(H2,15,16)
InChIKeyOKGNXOGKMRDQTB-UHFFFAOYSA-N
XLogP3.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
CID 115063142
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063137
1-methyl-7-(trifluoromethyl)chrysene
CID 58362219
1-methyl-4-(trifluoromethyl)indazol-3-amine
CID 53403360
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
7-(trifluoromethyl)phenanthridine
CID 122219612
1-methyl-8-(trifluoromethyl)isoquinoline
CID 125457545
1-(1,1,2,2,3,3,3-heptafluoropropyl)-4-methylisoquinoline
CID 12507589
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765

Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine?
The IUPAC name of 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine (CID 115063049) is 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine.
What is the SMILES notation for 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine?
The canonical SMILES for 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine is Cc1cnc(N)c2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine?
The InChIKey is OKGNXOGKMRDQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2/c1-6-5-16-10(15)9-7(6)3-2-4-8(9)11(12,13)14/h2-5H,1H3,(H2,15,16).
What are the key properties of 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine?
4-methyl-8-(trifluoromethyl)isoquinolin-1-amine has a molecular weight of 226.20 g/mol, XLogP of 3.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-(trifluoromethyl)isoquinolin-1-amine is sourced from PubChem (CID 115063049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).