5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline

C19H23F2N3O — CID 123829514

IUPAC5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline
SMILESCc1cc(-c2c(F)cc(N3CC(C)OC(C)C3)c(F)c2N)cc(C)n1
InChIInChI=1S/C19H23F2N3O/c1-10-5-14(6-11(2)23-10)17-15(20)7-16(18(21)19(17)22)24-8-12(3)25-13(4)9-24/h5-7,12-13H,8-9,22H2,1-4H3
InChIKeyKRCWMDGYWRPJGJ-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.84
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline

5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline (PubChem CID 123829514) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline
PubChem CID123829514
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline
SMILESCc1cc(-c2c(F)cc(N3CC(C)OC(C)C3)c(F)c2N)cc(C)n1
InChIInChI=1S/C19H23F2N3O/c1-10-5-14(6-11(2)23-10)17-15(20)7-16(18(21)19(17)22)24-8-12(3)25-13(4)9-24/h5-7,12-13H,8-9,22H2,1-4H3
InChIKeyKRCWMDGYWRPJGJ-UHFFFAOYSA-N
XLogP3.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.84
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)-3,6-difluoroaniline?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline (CID 123829514) is 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline is Cc1cc(-c2c(F)cc(N3CC(C)OC(C)C3)c(F)c2N)cc(C)n1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline?
The InChIKey is KRCWMDGYWRPJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-10-5-14(6-11(2)23-10)17-15(20)7-16(18(21)19(17)22)24-8-12(3)25-13(4)9-24/h5-7,12-13H,8-9,22H2,1-4H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline?
5-(2,6-dimethylmorpholin-4-yl)-2-(2,6-dimethyl-4-pyridinyl)-3,6-difluoroaniline has a molecular weight of 347.41 g/mol, XLogP of 3.84, 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)-3,6-difluoroaniline is sourced from PubChem (CID 123829514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).