(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C18H24F2N4O — CID 118429830

IUPAC(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)cnn1
InChIInChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-15-6-5-14(23-16(15)17(19)20)13-7-12(3)24-22-9-13/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1
InChIKeyXESNTGKRAJJPIU-SFHVURJKSA-N
MW350.41 g/mol
LogP3.93
Rot. Bonds7

About (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429830) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429830
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)cnn1
InChIInChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-15-6-5-14(23-16(15)17(19)20)13-7-12(3)24-22-9-13/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1
InChIKeyXESNTGKRAJJPIU-SFHVURJKSA-N
XLogP3.93
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 145286468
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
CID 135282378
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 118420146
1-[[2-(difluoromethyl)-6-[2-(difluoromethyl)-4-pyridinyl]-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine;phosphoric acid
CID 166794219
(2S)-1-[[6-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(difluoromethyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
CID 176914325
(2S)-1-[4-(2,6-dimethylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]-2,4-dimethylpentan-2-amine
CID 135390135
(2S)-2,4-dimethyl-1-[4-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 137350676
1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
CID 150312529
(2S)-2,4-dimethyl-1-[2-methyl-4-[2-(trifluoromethyl)pyrimidin-4-yl]phenoxy]pentan-2-amine
CID 135390625
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl] carbamate
CID 175068700
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-methyl-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 118420194
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429830) is (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)cnn1.
What is the InChIKey of (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is XESNTGKRAJJPIU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-11(2)8-18(4,21)10-25-15-6-5-14(23-16(15)17(19)20)13-7-12(3)24-22-9-13/h5-7,9,11,17H,8,10,21H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 350.41 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(difluoromethyl)-6-(6-methylpyridazin-4-yl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).