(2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

C22H24ClFN2O — CID 129292460

IUPAC(2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@@](C)(N)COc1c(F)cc(-c2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3/t22-/m1/s1
InChIKeyJQZOBLFDUVUUGF-JOCHJYFZSA-N
MW386.90 g/mol
LogP5.84
Rot. Bonds6

About (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine

(2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (PubChem CID 129292460) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
PubChem CID129292460
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name(2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@@](C)(N)COc1c(F)cc(-c2ccnc3ccccc23)cc1Cl
InChIInChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3/t22-/m1/s1
InChIKeyJQZOBLFDUVUUGF-JOCHJYFZSA-N
XLogP5.84
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

4-(3-Chloro-4-methoxy-benzylamino)-8-ethyl-quinoline-6-carbonitrile
CID 22601583
US10155760, Example 74
CID 91938067
US10155760, Example 204
CID 118429935
8-[3-(2-Chlorophenoxy)propoxy]quinoline
CID 2283001
4-Chloro-7-(3-phenylpropoxy)quinoline
CID 78324295
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-7-(3-morpholin-4-ylphenyl)quinolin-4-amine
CID 118364939
US10155760, Example 116
CID 118419826
US10155760, Example 223
CID 118419831
US10155760, Example 131
CID 118419835
US10155760, Example 197
CID 118419900
US10155760, Example 235
CID 118419901
US10155760, Example 241
CID 118419907

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine (CID 129292460) is (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is CC(C)C[C@@](C)(N)COc1c(F)cc(-c2ccnc3ccccc23)cc1Cl.
What is the InChIKey of (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is JQZOBLFDUVUUGF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24ClFN2O/c1-14(2)12-22(3,25)13-27-21-18(23)10-15(11-19(21)24)16-8-9-26-20-7-5-4-6-17(16)20/h4-11,14H,12-13,25H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine?
(2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 386.90 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-6-fluoro-4-quinolin-4-ylphenoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 129292460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).