8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine

C21H21F3N2O3 — CID 22254576

IUPAC8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine
SMILESCC(CCCOc1cccc(OC(F)(F)F)c1)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C21H21F3N2O3/c1-14(28-18-9-2-6-15-10-11-19(25)26-20(15)18)5-4-12-27-16-7-3-8-17(13-16)29-21(22,23)24/h2-3,6-11,13-14H,4-5,12H2,1H3,(H2,25,26)
InChIKeyCLBZKKDIOGYZAR-UHFFFAOYSA-N
MW406.40 g/mol
LogP5.34
Rot. Bonds8

About 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine

8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine (PubChem CID 22254576) has the molecular formula C21H21F3N2O3 and a molecular weight of 406.40 g/mol. Its IUPAC name is 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine
PubChem CID22254576
Molecular FormulaC21H21F3N2O3
Molecular Weight406.40 g/mol
Exact Mass406.15
IUPAC Name8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine
SMILESCC(CCCOc1cccc(OC(F)(F)F)c1)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C21H21F3N2O3/c1-14(28-18-9-2-6-15-10-11-19(25)26-20(15)18)5-4-12-27-16-7-3-8-17(13-16)29-21(22,23)24/h2-3,6-11,13-14H,4-5,12H2,1H3,(H2,25,26)
InChIKeyCLBZKKDIOGYZAR-UHFFFAOYSA-N
XLogP5.34
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-[(2R)-5-(3-phenylphenoxy)pentan-2-yl]oxyquinolin-2-amine
CID 70036629
8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 22254542
8-[5-[3-(diethylamino)phenoxy]pentan-2-yloxy]quinolin-2-amine
CID 11741307
8-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 10316013
8-[4-(2-methylphenoxy)pentoxy]quinolin-2-amine
CID 70036896
8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 22254589
8-(6-methylheptoxy)quinolin-2-amine
CID 70038087
8-(4-ethylhexan-3-yloxy)quinolin-2-amine
CID 10016093
3-[5-(4-methoxyphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 70038950
8-[2-(1-methylpyrrolidin-2-yl)ethoxy]quinolin-2-amine
CID 22254585
8-[(E)-but-2-enoxy]quinolin-2-amine
CID 10036173
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047

Frequently Asked Questions

What is the IUPAC name of 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The IUPAC name of 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine (CID 22254576) is 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine.
What is the SMILES notation for 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The canonical SMILES for 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine is CC(CCCOc1cccc(OC(F)(F)F)c1)Oc1cccc2ccc(N)nc12.
What is the InChIKey of 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The InChIKey is CLBZKKDIOGYZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3/c1-14(28-18-9-2-6-15-10-11-19(25)26-20(15)18)5-4-12-27-16-7-3-8-17(13-16)29-21(22,23)24/h2-3,6-11,13-14H,4-5,12H2,1H3,(H2,25,26).
What are the key properties of 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine?
8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine has a molecular weight of 406.40 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[3-(trifluoromethoxy)phenoxy]pentan-2-yloxy]quinolin-2-amine is sourced from PubChem (CID 22254576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).