3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline

C16H11F3N2O — CID 54773198

IUPAC3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
SMILESNc1cccc(Oc2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)13-6-2-5-12-14(7-8-21-15(12)13)22-11-4-1-3-10(20)9-11/h1-9H,20H2
InChIKeyFELBRXDLTVPQCD-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.63
Rot. Bonds2

About 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline

3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline (PubChem CID 54773198) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline.

Molecular Properties

Compound Name3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
PubChem CID54773198
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline
SMILESNc1cccc(Oc2ccnc3c(C(F)(F)F)cccc23)c1
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)13-6-2-5-12-14(7-8-21-15(12)13)22-11-4-1-3-10(20)9-11/h1-9H,20H2
InChIKeyFELBRXDLTVPQCD-UHFFFAOYSA-N
XLogP4.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminophenoxy)-N-methyl-1,7-naphthyridin-8-amine
CID 141279533
3-[6-(trifluoromethyl)quinolin-4-yl]oxyaniline
CID 54773336
4-(3-methylphenoxy)quinolin-8-amine
CID 83061210
3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline
CID 54773209
4-[4-(trifluoromethyl)phenoxy]quinolin-8-amine
CID 71678550
3-[4-(3-aminophenoxy)naphthalen-1-yl]oxyaniline
CID 66887751
4-(3-bromophenoxy)quinolin-8-amine
CID 83060320
4-[3-(methoxymethyl)phenoxy]quinolin-8-amine
CID 83066383
3-[2-[2-[2-(3-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 22483776
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
[3-(8-aminoquinolin-4-yl)oxyphenyl]methanol
CID 83060557
4-(4-chloro-3-fluorophenoxy)quinolin-8-amine
CID 83060401

Frequently Asked Questions

What is the IUPAC name of 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline?
The IUPAC name of 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline (CID 54773198) is 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline.
What is the SMILES notation for 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline?
The canonical SMILES for 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline is Nc1cccc(Oc2ccnc3c(C(F)(F)F)cccc23)c1.
What is the InChIKey of 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline?
The InChIKey is FELBRXDLTVPQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)13-6-2-5-12-14(7-8-21-15(12)13)22-11-4-1-3-10(20)9-11/h1-9H,20H2.
What are the key properties of 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline?
3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline has a molecular weight of 304.27 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(trifluoromethyl)quinolin-4-yl]oxyaniline is sourced from PubChem (CID 54773198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).