2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline

C16H17F2N3O — CID 167840965

IUPAC2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
SMILESFc1cc(N2CCOCC2)c(F)cc1NCc1cccnc1
InChIInChI=1S/C16H17F2N3O/c17-13-9-16(21-4-6-22-7-5-21)14(18)8-15(13)20-11-12-2-1-3-19-10-12/h1-3,8-10,20H,4-7,11H2
InChIKeyAAIYAPTVFKGLGG-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.81
Rot. Bonds4

About 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline

2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 167840965) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
PubChem CID167840965
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline
SMILESFc1cc(N2CCOCC2)c(F)cc1NCc1cccnc1
InChIInChI=1S/C16H17F2N3O/c17-13-9-16(21-4-6-22-7-5-21)14(18)8-15(13)20-11-12-2-1-3-19-10-12/h1-3,8-10,20H,4-7,11H2
InChIKeyAAIYAPTVFKGLGG-UHFFFAOYSA-N
XLogP2.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-morpholin-4-yl-4-N-(pyridin-3-ylmethyl)pyridine-3,4-diamine
CID 90161049
6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
6-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 43724741
4-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 112886382
2-morpholin-4-yl-6-phenyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112935500
4-methoxy-6-morpholin-4-yl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 171982985
N-(2-morpholin-4-ylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171960
4-(3-fluoro-4-pyridinyl)morpholine
CID 91005494
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 84753243
3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
CID 100696687
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)aniline
CID 43229589
3-chloro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 19644356

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline (CID 167840965) is 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline is Fc1cc(N2CCOCC2)c(F)cc1NCc1cccnc1.
What is the InChIKey of 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is AAIYAPTVFKGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-13-9-16(21-4-6-22-7-5-21)14(18)8-15(13)20-11-12-2-1-3-19-10-12/h1-3,8-10,20H,4-7,11H2.
What are the key properties of 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline?
2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 305.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 167840965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).