(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine

C19H23F3N2O — CID 118420203

IUPAC(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
InChIKeyUJFBQMHGCCSHRP-SFHVURJKSA-N
MW352.40 g/mol
LogP4.91
Rot. Bonds6

About (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine (PubChem CID 118420203) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
PubChem CID118420203
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F
InChIInChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1
InChIKeyUJFBQMHGCCSHRP-SFHVURJKSA-N
XLogP4.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine with MolForge

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Related Compounds

Pilavapadin
CID 118419773
(4s)-2'-(3,6-Dihydro-2h-Pyran-4-Yl)-4'-Fluoro-7'-(2-Fluoropyridin-3-Yl)spiro[1,3-Oxazole-4,9'-Xanthen]-2-Amine
CID 45254900
(4r,4a's,10a'r)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
CID 67950186
(4r,4a'r,10a's)-8'-(2-Fluoropyridin-3-Yl)-4a'-Methyl-3',4',4a',10a'-Tetrahydro-2'h-Spiro[1,3-Oxazole-4,10'-Pyrano[3,2-B]chromen]-2-Amine
CID 67971215
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
Spiro[1,4-oxazepine-3(2H),9'-[9H]xanthen]-5-amine, 2'-(2,2-dimethylpropoxy)-4'-fluoro-7'-(2-fluoro-3-pyridinyl)-6,7-dihydro-, (3S)-
CID 60164519
US10155760, Example 74
CID 91938067
US10155760, Example 23
CID 118419711
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 19
CID 118419969
US10155760, Example 36
CID 118420147

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine (CID 118420203) is (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine is CC(C)C[C@](C)(N)COc1ccc(-c2ccncc2)cc1C(F)(F)F.
What is the InChIKey of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
The InChIKey is UJFBQMHGCCSHRP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-13(2)11-18(3,23)12-25-17-5-4-15(10-16(17)19(20,21)22)14-6-8-24-9-7-14/h4-10,13H,11-12,23H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine has a molecular weight of 352.40 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-[4-pyridin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine is sourced from PubChem (CID 118420203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).