5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine

C19H25F2N3O — CID 135282182

IUPAC5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
SMILESCc1cc(-c2ccnc(C(F)F)c2)ncc1OCC(C)CC(C)CN
InChIInChI=1S/C19H25F2N3O/c1-12(9-22)6-13(2)11-25-18-10-24-16(7-14(18)3)15-4-5-23-17(8-15)19(20)21/h4-5,7-8,10,12-13,19H,6,9,11,22H2,1-3H3
InChIKeyUZDNRCXREHGLIL-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.39
Rot. Bonds8

About 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine

5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine (PubChem CID 135282182) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
PubChem CID135282182
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine
SMILESCc1cc(-c2ccnc(C(F)F)c2)ncc1OCC(C)CC(C)CN
InChIInChI=1S/C19H25F2N3O/c1-12(9-22)6-13(2)11-25-18-10-24-16(7-14(18)3)15-4-5-23-17(8-15)19(20)21/h4-5,7-8,10,12-13,19H,6,9,11,22H2,1-3H3
InChIKeyUZDNRCXREHGLIL-UHFFFAOYSA-N
XLogP4.39
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine?
The IUPAC name of 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine (CID 135282182) is 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine?
The canonical SMILES for 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine is Cc1cc(-c2ccnc(C(F)F)c2)ncc1OCC(C)CC(C)CN.
What is the InChIKey of 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine?
The InChIKey is UZDNRCXREHGLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-12(9-22)6-13(2)11-25-18-10-24-16(7-14(18)3)15-4-5-23-17(8-15)19(20)21/h4-5,7-8,10,12-13,19H,6,9,11,22H2,1-3H3.
What are the key properties of 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine?
5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine has a molecular weight of 349.43 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[2-(difluoromethyl)-4-pyridinyl]-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 135282182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).