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

C19H25F2N3O — CID 118429771

IUPAC(2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)ccn1
InChIInChI=1S/C19H25F2N3O/c1-12(2)10-19(4,22)11-25-16-6-5-15(24-17(16)18(20)21)14-7-8-23-13(3)9-14/h5-9,12,18H,10-11,22H2,1-4H3/t19-/m0/s1
InChIKeyCQKGLFXBOCVPLN-IBGZPJMESA-N
MW349.43 g/mol
LogP4.53
Rot. Bonds7

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

(2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429771) has the molecular formula C19H25F2N3O and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429771
Molecular FormulaC19H25F2N3O
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)ccn1
InChIInChI=1S/C19H25F2N3O/c1-12(2)10-19(4,22)11-25-16-6-5-15(24-17(16)18(20)21)14-7-8-23-13(3)9-14/h5-9,12,18H,10-11,22H2,1-4H3/t19-/m0/s1
InChIKeyCQKGLFXBOCVPLN-IBGZPJMESA-N
XLogP4.53
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429771) is (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(C(F)F)n2)ccn1.
What is the InChIKey of (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is CQKGLFXBOCVPLN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25F2N3O/c1-12(2)10-19(4,22)11-25-16-6-5-15(24-17(16)18(20)21)14-7-8-23-13(3)9-14/h5-9,12,18H,10-11,22H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 349.43 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).