5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline

C19H24FN3O — CID 123392608

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline
SMILESCc1cc(-c2cc(F)c(N3CC(C)OC(C)C3)cc2N)cc(C)n1
InChIInChI=1S/C19H24FN3O/c1-11-5-15(6-12(2)22-11)16-7-17(20)19(8-18(16)21)23-9-13(3)24-14(4)10-23/h5-8,13-14H,9-10,21H2,1-4H3
InChIKeyOHUSNXSCVZNKNC-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.70
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline

5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline (PubChem CID 123392608) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline
PubChem CID123392608
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline
SMILESCc1cc(-c2cc(F)c(N3CC(C)OC(C)C3)cc2N)cc(C)n1
InChIInChI=1S/C19H24FN3O/c1-11-5-15(6-12(2)22-11)16-7-17(20)19(8-18(16)21)23-9-13(3)24-14(4)10-23/h5-8,13-14H,9-10,21H2,1-4H3
InChIKeyOHUSNXSCVZNKNC-UHFFFAOYSA-N
XLogP3.70
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline (CID 123392608) is 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline is Cc1cc(-c2cc(F)c(N3CC(C)OC(C)C3)cc2N)cc(C)n1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline?
The InChIKey is OHUSNXSCVZNKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-11-5-15(6-12(2)22-11)16-7-17(20)19(8-18(16)21)23-9-13(3)24-14(4)10-23/h5-8,13-14H,9-10,21H2,1-4H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline?
5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline has a molecular weight of 329.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-4-fluoroaniline is sourced from PubChem (CID 123392608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).