2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine

C16H15F4N3O — CID 133338821

IUPAC2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccc(N3CCOCC3)cc2)c1F
InChIInChI=1S/C16H15F4N3O/c17-12-14(13(18)16(20)22-15(12)19)21-9-10-1-3-11(4-2-10)23-5-7-24-8-6-23/h1-4H,5-9H2,(H,21,22)
InChIKeyJLAUOOALTIYGKX-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.09
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine

2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine (PubChem CID 133338821) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
PubChem CID133338821
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC Name2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine
SMILESFc1nc(F)c(F)c(NCc2ccc(N3CCOCC3)cc2)c1F
InChIInChI=1S/C16H15F4N3O/c17-12-14(13(18)16(20)22-15(12)19)21-9-10-1-3-11(4-2-10)23-5-7-24-8-6-23/h1-4H,5-9H2,(H,21,22)
InChIKeyJLAUOOALTIYGKX-UHFFFAOYSA-N
XLogP3.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-N-[(4-thiomorpholin-4-ylphenyl)methyl]pyridin-4-amine
CID 133338786
N-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-5-amine
CID 107588098
2,3,5,6-tetrafluoro-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridin-4-amine
CID 133338770
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724722
2-N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylpyridine-2,5-diamine
CID 86660459
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-methyl-N-[(4-morpholin-4-ylphenyl)methyl]oxan-4-amine
CID 115758040
(4-morpholin-4-ylphenyl)methanol
CID 2776456
4-(4-ethylphenyl)morpholine
CID 20576442
5-(1-benzofuran-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine
CID 42520239
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
1-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732148

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine (CID 133338821) is 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine is Fc1nc(F)c(F)c(NCc2ccc(N3CCOCC3)cc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
The InChIKey is JLAUOOALTIYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-12-14(13(18)16(20)22-15(12)19)21-9-10-1-3-11(4-2-10)23-5-7-24-8-6-23/h1-4H,5-9H2,(H,21,22).
What are the key properties of 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine?
2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine has a molecular weight of 341.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 133338821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).