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

C11H9F3N2O — CID 115063137

IUPAC8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(C(F)(F)F)cnc(N)c12
InChIInChI=1S/C11H9F3N2O/c1-17-8-4-2-3-6-7(11(12,13)14)5-16-10(15)9(6)8/h2-5H,1H3,(H2,15,16)
InChIKeyIITRNZIXIVJKIZ-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.84
Rot. Bonds1

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

8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine (PubChem CID 115063137) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
PubChem CID115063137
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
SMILESCOc1cccc2c(C(F)(F)F)cnc(N)c12
InChIInChI=1S/C11H9F3N2O/c1-17-8-4-2-3-6-7(11(12,13)14)5-16-10(15)9(6)8/h2-5H,1H3,(H2,15,16)
InChIKeyIITRNZIXIVJKIZ-UHFFFAOYSA-N
XLogP2.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
5-methoxyisoquinoline-1,4-diamine
CID 84661992
4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
CID 115063049
5-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325
3-(difluoromethyl)-4-methoxy-5-(trifluoromethyl)pyridin-2-amine
CID 119010486
4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
CID 115063142
3-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 155555120
4-(1-benzofuran-2-yl)-8-methoxyisoquinolin-1-amine
CID 142739735
2-[4-(7-methoxy-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 175569372
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine?
The IUPAC name of 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine (CID 115063137) is 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine.
What is the SMILES notation for 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine?
The canonical SMILES for 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine is COc1cccc2c(C(F)(F)F)cnc(N)c12.
What is the InChIKey of 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine?
The InChIKey is IITRNZIXIVJKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-6-7(11(12,13)14)5-16-10(15)9(6)8/h2-5H,1H3,(H2,15,16).
What are the key properties of 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine?
8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine has a molecular weight of 242.20 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine is sourced from PubChem (CID 115063137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).