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

C19H26FN3O — CID 135390131

IUPAC(2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(CF)n2)ccn1
InChIInChI=1S/C19H26FN3O/c1-13(2)10-19(4,21)12-24-18-6-5-16(23-17(18)11-20)15-7-8-22-14(3)9-15/h5-9,13H,10-12,21H2,1-4H3/t19-/m0/s1
InChIKeyLBHKHACLJJBTHJ-IBGZPJMESA-N
MW331.44 g/mol
LogP4.06
Rot. Bonds7

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

(2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 135390131) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID135390131
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name(2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(CF)n2)ccn1
InChIInChI=1S/C19H26FN3O/c1-13(2)10-19(4,21)12-24-18-6-5-16(23-17(18)11-20)15-7-8-22-14(3)9-15/h5-9,13H,10-12,21H2,1-4H3/t19-/m0/s1
InChIKeyLBHKHACLJJBTHJ-IBGZPJMESA-N
XLogP4.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 135390131) is (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccc(OC[C@@](C)(N)CC(C)C)c(CF)n2)ccn1.
What is the InChIKey of (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is LBHKHACLJJBTHJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26FN3O/c1-13(2)10-19(4,21)12-24-18-6-5-16(23-17(18)11-20)15-7-8-22-14(3)9-15/h5-9,13H,10-12,21H2,1-4H3/t19-/m0/s1.
What are the key properties of (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 331.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[2-(fluoromethyl)-6-(2-methyl-4-pyridinyl)-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135390131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).