2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile

C15H20FN3O — CID 168655009

IUPAC2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile
SMILESN#CC(CNCc1ccc(F)cc1)CN1CCOCC1
InChIInChI=1S/C15H20FN3O/c16-15-3-1-13(2-4-15)10-18-11-14(9-17)12-19-5-7-20-8-6-19/h1-4,14,18H,5-8,10-12H2
InChIKeyPLUZUDOKRQYPON-UHFFFAOYSA-N
MW277.34 g/mol
LogP1.39
Rot. Bonds6

About 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile

2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile (PubChem CID 168655009) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile
PubChem CID168655009
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile
SMILESN#CC(CNCc1ccc(F)cc1)CN1CCOCC1
InChIInChI=1S/C15H20FN3O/c16-15-3-1-13(2-4-15)10-18-11-14(9-17)12-19-5-7-20-8-6-19/h1-4,14,18H,5-8,10-12H2
InChIKeyPLUZUDOKRQYPON-UHFFFAOYSA-N
XLogP1.39
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887
1-[(2,5-difluorophenyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 63032651
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]benzonitrile
CID 60695641
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
4-[2-(4-fluorophenyl)ethyl]morpholine
CID 100965302
3-[[[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]benzonitrile
CID 94182908
1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile?
The IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile (CID 168655009) is 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile.
What is the SMILES notation for 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile?
The canonical SMILES for 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile is N#CC(CNCc1ccc(F)cc1)CN1CCOCC1.
What is the InChIKey of 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile?
The InChIKey is PLUZUDOKRQYPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-15-3-1-13(2-4-15)10-18-11-14(9-17)12-19-5-7-20-8-6-19/h1-4,14,18H,5-8,10-12H2.
What are the key properties of 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile?
2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile has a molecular weight of 277.34 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methylamino]methyl]-3-morpholin-4-ylpropanenitrile is sourced from PubChem (CID 168655009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).