(2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine

C19H24F3N3O — CID 175075961

IUPAC(2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
SMILESCc1nc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C19H24F3N3O/c1-12(2)10-18(4,23)11-26-17-16(19(20,21)22)9-15(13(3)25-17)14-5-7-24-8-6-14/h5-9,12H,10-11,23H2,1-4H3/t18-/m0/s1
InChIKeyAZFDIAJSXBQMPA-SFHVURJKSA-N
MW367.42 g/mol
LogP4.61
Rot. Bonds6

About (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine

(2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine (PubChem CID 175075961) has the molecular formula C19H24F3N3O and a molecular weight of 367.42 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
PubChem CID175075961
Molecular FormulaC19H24F3N3O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC Name(2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine
SMILESCc1nc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)cc1-c1ccncc1
InChIInChI=1S/C19H24F3N3O/c1-12(2)10-18(4,23)11-26-17-16(19(20,21)22)9-15(13(3)25-17)14-5-7-24-8-6-14/h5-9,12H,10-11,23H2,1-4H3/t18-/m0/s1
InChIKeyAZFDIAJSXBQMPA-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

Analyze (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 175073119
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069
(2S)-2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 137350676
1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 145286468
(2S)-1-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390135
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-yl]carbamic acid
CID 135282057
(2S)-2,4-dimethyl-1-[2-methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentan-2-amine
CID 135390625
(2S)-1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118419702
1-[[3-chloro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 134285449
2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine
CID 135390512
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl] carbamate
CID 175068700
(2S)-1-[(3,5-dimethyl-2-pyridinyl)oxy]-2,4-dimethylpentan-2-amine
CID 145286374

Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine (CID 175075961) is (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine is Cc1nc(OC[C@@](C)(N)CC(C)C)c(C(F)(F)F)cc1-c1ccncc1.
What is the InChIKey of (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
The InChIKey is AZFDIAJSXBQMPA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24F3N3O/c1-12(2)10-18(4,23)11-26-17-16(19(20,21)22)9-15(13(3)25-17)14-5-7-24-8-6-14/h5-9,12H,10-11,23H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine?
(2S)-2,4-dimethyl-1-[[6-methyl-5-pyridin-4-yl-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-[[6-methyl-5-pyridin-4-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 175075961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).