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

C18H24FN3O — CID 118429176

IUPAC(2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C18H24FN3O/c1-12(2)9-18(4,20)11-23-17-16(19)8-15(10-22-17)14-5-6-21-13(3)7-14/h5-8,10,12H,9,11,20H2,1-4H3/t18-/m0/s1
InChIKeyPPHVWFRCKAYPEU-SFHVURJKSA-N
MW317.41 g/mol
LogP3.73
Rot. Bonds6

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

(2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118429176) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118429176
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC Name(2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C18H24FN3O/c1-12(2)9-18(4,20)11-23-17-16(19)8-15(10-22-17)14-5-6-21-13(3)7-14/h5-8,10,12H,9,11,20H2,1-4H3/t18-/m0/s1
InChIKeyPPHVWFRCKAYPEU-SFHVURJKSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118429176) is (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2cnc(OC[C@@](C)(N)CC(C)C)c(F)c2)ccn1.
What is the InChIKey of (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is PPHVWFRCKAYPEU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-12(2)9-18(4,20)11-23-17-16(19)8-15(10-22-17)14-5-6-21-13(3)7-14/h5-8,10,12H,9,11,20H2,1-4H3/t18-/m0/s1.
What are the key properties of (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 317.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-fluoro-5-(2-methyl-4-pyridinyl)-2-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118429176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).