N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine

C17H13F3N2O — CID 152521142

IUPACN-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine
SMILESCNc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12
InChIInChI=1S/C17H13F3N2O/c1-21-14-7-8-15(16-13(14)6-3-9-22-16)23-12-5-2-4-11(10-12)17(18,19)20/h2-10,21H,1H3
InChIKeyYHNUEFNPQFEHMB-UHFFFAOYSA-N
MW318.30 g/mol
LogP5.09
Rot. Bonds3

About N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine

N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine (PubChem CID 152521142) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine.

Molecular Properties

Compound NameN-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine
PubChem CID152521142
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC NameN-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine
SMILESCNc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12
InChIInChI=1S/C17H13F3N2O/c1-21-14-7-8-15(16-13(14)6-3-9-22-16)23-12-5-2-4-11(10-12)17(18,19)20/h2-10,21H,1H3
InChIKeyYHNUEFNPQFEHMB-UHFFFAOYSA-N
XLogP5.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.30
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-nitro-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 164876680
7-ethenyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 155344351
4-N-[6-methoxy-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
CID 12827754
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
6-(5-bromoquinolin-8-yl)oxy-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 19148505
methyl 3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylate
CID 162357650
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773198
5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603

Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine?
The IUPAC name of N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine (CID 152521142) is N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine.
What is the SMILES notation for N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine?
The canonical SMILES for N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine is CNc1ccc(Oc2cccc(C(F)(F)F)c2)c2ncccc12.
What is the InChIKey of N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine?
The InChIKey is YHNUEFNPQFEHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-21-14-7-8-15(16-13(14)6-3-9-22-16)23-12-5-2-4-11(10-12)17(18,19)20/h2-10,21H,1H3.
What are the key properties of N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine?
N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine has a molecular weight of 318.30 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[3-(trifluoromethyl)phenoxy]quinolin-5-amine is sourced from PubChem (CID 152521142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).