(2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine

C19H24F3N3O — CID 118429845

IUPAC(2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H24F3N3O/c1-12(2)9-18(4,23)11-26-17-16(19(20,21)22)8-15(10-25-17)14-5-6-24-13(3)7-14/h5-8,10,12H,9,11,23H2,1-4H3/t18-/m0/s1
InChIKeyJQIHRBYOHNTCLX-SFHVURJKSA-N
MW367.42 g/mol
LogP4.61
Rot. Bonds6

About (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine (PubChem CID 118429845) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
PubChem CID118429845
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1
InChIInChI=1S/C19H24F3N3O/c1-12(2)9-18(4,23)11-26-17-16(19(20,21)22)8-15(10-25-17)14-5-6-24-13(3)7-14/h5-8,10,12H,9,11,23H2,1-4H3/t18-/m0/s1
InChIKeyJQIHRBYOHNTCLX-SFHVURJKSA-N
XLogP4.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine (CID 118429845) is (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine is Cc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)c2)ccn1.
What is the InChIKey of (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The InChIKey is JQIHRBYOHNTCLX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-12(2)9-18(4,23)11-26-17-16(19(20,21)22)8-15(10-25-17)14-5-6-24-13(3)7-14/h5-8,10,12H,9,11,23H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine has a molecular weight of 367.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-1-[[5-(2-methyl-4-pyridinyl)-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 118429845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).