4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine

C12H11F3N2 — CID 115063142

IUPAC4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
SMILESCCc1cnc(N)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C12H11F3N2/c1-2-7-6-17-11(16)8-4-3-5-9(10(7)8)12(13,14)15/h3-6H,2H2,1H3,(H2,16,17)
InChIKeyLKNVHAZNJDALQL-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.40
Rot. Bonds1

About 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine

4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine (PubChem CID 115063142) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
PubChem CID115063142
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine
SMILESCCc1cnc(N)c2cccc(C(F)(F)F)c12
InChIInChI=1S/C12H11F3N2/c1-2-7-6-17-11(16)8-4-3-5-9(10(7)8)12(13,14)15/h3-6H,2H2,1H3,(H2,16,17)
InChIKeyLKNVHAZNJDALQL-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-8-(trifluoromethyl)isoquinolin-1-amine
CID 115063049
5-ethyl-4-fluoroisoquinolin-1-amine
CID 163390204
4-ethyl-2,8-bis(trifluoromethyl)quinoline
CID 88573891
8-fluoro-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063127
8-methoxy-4-(trifluoromethyl)isoquinolin-1-amine
CID 115063137
4-methyl-8-(trifluoromethyl)quinolin-3-amine
CID 105483666
1-methyl-4-(trifluoromethyl)indazol-3-amine
CID 53403360
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
5-(trifluoromethyl)quinazolin-2-amine
CID 10488765
4-butyl-8-(trifluoromethyl)quinoline
CID 90717731
2-chloro-8-(trifluoromethyl)quinazolin-4-amine
CID 34181622
1-methyl-7-(trifluoromethyl)indazol-3-amine
CID 53403363

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine (CID 115063142) is 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine is CCc1cnc(N)c2cccc(C(F)(F)F)c12.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine?
The InChIKey is LKNVHAZNJDALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-2-7-6-17-11(16)8-4-3-5-9(10(7)8)12(13,14)15/h3-6H,2H2,1H3,(H2,16,17).
What are the key properties of 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine?
4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine has a molecular weight of 240.23 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)isoquinolin-1-amine is sourced from PubChem (CID 115063142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).