5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine

C23H24F4N2O — CID 118420541

IUPAC5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1ccc(-c2ccnc3cc(F)ccc23)cc1C(F)(F)F)CC(C)(C)N
InChIInChI=1S/C23H24F4N2O/c1-14(12-22(2,3)28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3
InChIKeyDUECGJZQOUWWJQ-UHFFFAOYSA-N
MW420.45 g/mol
LogP6.20
Rot. Bonds6

About 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine

5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420541) has the molecular formula C23H24F4N2O and a molecular weight of 420.45 g/mol. Its IUPAC name is 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
PubChem CID118420541
Molecular FormulaC23H24F4N2O
Molecular Weight420.45 g/mol
Exact Mass420.18
IUPAC Name5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
SMILESCC(COc1ccc(-c2ccnc3cc(F)ccc23)cc1C(F)(F)F)CC(C)(C)N
InChIInChI=1S/C23H24F4N2O/c1-14(12-22(2,3)28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3
InChIKeyDUECGJZQOUWWJQ-UHFFFAOYSA-N
XLogP6.20
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

5-[2-(difluoromethyl)-4-(6-fluoroquinolin-4-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 118419876
5-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420340
5-[[6-(6-fluoroquinolin-4-yl)-2-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420103
(4S)-5-[4-(5-chloro-2-fluoro-4-pyridinyl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135282218
4,4-dimethyl-1-[4-quinolin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 142797261
5-[[3-(difluoromethyl)-5-(7-methylquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420069
(4S)-2,4-dimethyl-5-[[6-(2-methyl-4-pyridinyl)-4-(trifluoromethyl)-3-pyridinyl]oxy]pentan-2-amine
CID 118419976
4-[4-[(2S)-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]-3-fluoropyridine
CID 150539730
(2S)-1-[[2-chloro-6-(7-fluoroquinolin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419718
(2S)-1-[[5-(7-fluoroquinolin-4-yl)-3-methyl-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118429942
1-[[3-(difluoromethyl)-5-(7-fluoroquinolin-4-yl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 129279910
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine (CID 118420541) is 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine is CC(COc1ccc(-c2ccnc3cc(F)ccc23)cc1C(F)(F)F)CC(C)(C)N.
What is the InChIKey of 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine?
The InChIKey is DUECGJZQOUWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O/c1-14(12-22(2,3)28)13-30-21-7-4-15(10-19(21)23(25,26)27)17-8-9-29-20-11-16(24)5-6-18(17)20/h4-11,14H,12-13,28H2,1-3H3.
What are the key properties of 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine?
5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine has a molecular weight of 420.45 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7-fluoroquinolin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).