4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile

C15H19FN2O2 — CID 75433710

IUPAC4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1CNC1(CCO)CCOCC1
InChIInChI=1S/C15H19FN2O2/c16-14-2-1-12(10-17)13(9-14)11-18-15(3-6-19)4-7-20-8-5-15/h1-2,9,18-19H,3-8,11H2
InChIKeyAAIKOOPJTRYSLI-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.72
Rot. Bonds5

About 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile

4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile (PubChem CID 75433710) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile
PubChem CID75433710
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile
SMILESN#Cc1ccc(F)cc1CNC1(CCO)CCOCC1
InChIInChI=1S/C15H19FN2O2/c16-14-2-1-12(10-17)13(9-14)11-18-15(3-6-19)4-7-20-8-5-15/h1-2,9,18-19H,3-8,11H2
InChIKeyAAIKOOPJTRYSLI-UHFFFAOYSA-N
XLogP1.72
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile?
The IUPAC name of 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile (CID 75433710) is 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile?
The canonical SMILES for 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile is N#Cc1ccc(F)cc1CNC1(CCO)CCOCC1.
What is the InChIKey of 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile?
The InChIKey is AAIKOOPJTRYSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-14-2-1-12(10-17)13(9-14)11-18-15(3-6-19)4-7-20-8-5-15/h1-2,9,18-19H,3-8,11H2.
What are the key properties of 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile?
4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile has a molecular weight of 278.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[[4-(2-hydroxyethyl)oxan-4-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 75433710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).