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

C18H23F2N3O — CID 145286468

IUPAC1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccncc2)nc1C(F)F
InChIInChI=1S/C18H23F2N3O/c1-12(2)10-18(3,21)11-24-15-5-4-14(23-16(15)17(19)20)13-6-8-22-9-7-13/h4-9,12,17H,10-11,21H2,1-3H3
InChIKeyRYDSDCMLFXMWKP-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.22
Rot. Bonds7

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

1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 145286468) has the molecular formula C18H23F2N3O and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID145286468
Molecular FormulaC18H23F2N3O
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccncc2)nc1C(F)F
InChIInChI=1S/C18H23F2N3O/c1-12(2)10-18(3,21)11-24-15-5-4-14(23-16(15)17(19)20)13-6-8-22-9-7-13/h4-9,12,17H,10-11,21H2,1-3H3
InChIKeyRYDSDCMLFXMWKP-UHFFFAOYSA-N
XLogP4.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 145286468) is 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is CC(C)CC(C)(N)COc1ccc(-c2ccncc2)nc1C(F)F.
What is the InChIKey of 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is RYDSDCMLFXMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O/c1-12(2)10-18(3,21)11-24-15-5-4-14(23-16(15)17(19)20)13-6-8-22-9-7-13/h4-9,12,17H,10-11,21H2,1-3H3.
What are the key properties of 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 335.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethyl)-6-pyridin-4-yl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 145286468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).