8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine

C21H21F3N2O2 — CID 22254542

IUPAC8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
SMILESCC(CCCOc1ccc(C(F)(F)F)cc1)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C21H21F3N2O2/c1-14(28-18-6-2-5-15-7-12-19(25)26-20(15)18)4-3-13-27-17-10-8-16(9-11-17)21(22,23)24/h2,5-12,14H,3-4,13H2,1H3,(H2,25,26)
InChIKeyWNZMQWRCJGTIJC-UHFFFAOYSA-N
MW390.41 g/mol
LogP5.46
Rot. Bonds7

About 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine

8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine (PubChem CID 22254542) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
PubChem CID22254542
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine
SMILESCC(CCCOc1ccc(C(F)(F)F)cc1)Oc1cccc2ccc(N)nc12
InChIInChI=1S/C21H21F3N2O2/c1-14(28-18-6-2-5-15-7-12-19(25)26-20(15)18)4-3-13-27-17-10-8-16(9-11-17)21(22,23)24/h2,5-12,14H,3-4,13H2,1H3,(H2,25,26)
InChIKeyWNZMQWRCJGTIJC-UHFFFAOYSA-N
XLogP5.46
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.41
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The IUPAC name of 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine (CID 22254542) is 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine.
What is the SMILES notation for 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The canonical SMILES for 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine is CC(CCCOc1ccc(C(F)(F)F)cc1)Oc1cccc2ccc(N)nc12.
What is the InChIKey of 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine?
The InChIKey is WNZMQWRCJGTIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-14(28-18-6-2-5-15-7-12-19(25)26-20(15)18)4-3-13-27-17-10-8-16(9-11-17)21(22,23)24/h2,5-12,14H,3-4,13H2,1H3,(H2,25,26).
What are the key properties of 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine?
8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine has a molecular weight of 390.41 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[4-(trifluoromethyl)phenoxy]pentan-2-yloxy]quinolin-2-amine is sourced from PubChem (CID 22254542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).