(2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine

C19H23FN2O — CID 151055177

IUPAC(2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine
SMILESCc1cc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)cc(C)n1
InChIInChI=1S/C19H23FN2O/c1-12-7-16(8-13(2)21-12)18-6-5-17(9-19(18)20)22-10-14(3)23-15(4)11-22/h5-9,14-15H,10-11H2,1-4H3/t14-,15+
InChIKeyMEYQULWWNSUITK-GASCZTMLSA-N
MW314.40 g/mol
LogP4.12
Rot. Bonds2

About (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine

(2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine (PubChem CID 151055177) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine
PubChem CID151055177
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name(2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine
SMILESCc1cc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)cc(C)n1
InChIInChI=1S/C19H23FN2O/c1-12-7-16(8-13(2)21-12)18-6-5-17(9-19(18)20)22-10-14(3)23-15(4)11-22/h5-9,14-15H,10-11H2,1-4H3/t14-,15+
InChIKeyMEYQULWWNSUITK-GASCZTMLSA-N
XLogP4.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine (CID 151055177) is (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine is Cc1cc(-c2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2F)cc(C)n1.
What is the InChIKey of (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine?
The InChIKey is MEYQULWWNSUITK-GASCZTMLSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-12-7-16(8-13(2)21-12)18-6-5-17(9-19(18)20)22-10-14(3)23-15(4)11-22/h5-9,14-15H,10-11H2,1-4H3/t14-,15+.
What are the key properties of (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine?
(2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine has a molecular weight of 314.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-[4-(2,6-dimethyl-4-pyridinyl)-3-fluorophenyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 151055177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).