2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile

C19H19FN2O — CID 133413488

IUPAC2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
SMILESN#Cc1c(F)cccc1NC(CC1CCOC1)c1ccccc1
InChIInChI=1S/C19H19FN2O/c20-17-7-4-8-18(16(17)12-21)22-19(11-14-9-10-23-13-14)15-5-2-1-3-6-15/h1-8,14,19,22H,9-11,13H2
InChIKeyPLMLCQIDXYMECK-UHFFFAOYSA-N
MW310.37 g/mol
LogP4.28
Rot. Bonds5

About 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile

2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile (PubChem CID 133413488) has the molecular formula C19H19FN2O and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
PubChem CID133413488
Molecular FormulaC19H19FN2O
Molecular Weight310.37 g/mol
Exact Mass310.15
IUPAC Name2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
SMILESN#Cc1c(F)cccc1NC(CC1CCOC1)c1ccccc1
InChIInChI=1S/C19H19FN2O/c20-17-7-4-8-18(16(17)12-21)22-19(11-14-9-10-23-13-14)15-5-2-1-3-6-15/h1-8,14,19,22H,9-11,13H2
InChIKeyPLMLCQIDXYMECK-UHFFFAOYSA-N
XLogP4.28
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 126802466
2-nitro-N-[2-(oxolan-3-yl)-1-phenylethyl]aniline
CID 133413500
5-nitro-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413534
2-fluoro-6-[(3-methyl-1-phenylbutyl)amino]benzonitrile
CID 43399649
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095
3-nitro-4-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413535
2-fluoro-6-(oxan-3-ylmethylamino)benzonitrile
CID 61037918
1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
CID 109395452
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
2-fluoro-6-(oxan-3-ylamino)benzonitrile
CID 63611402
N-(2-cyano-3-fluorophenyl)oxolane-3-carboxamide
CID 61276767

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
The IUPAC name of 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile (CID 133413488) is 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile is N#Cc1c(F)cccc1NC(CC1CCOC1)c1ccccc1.
What is the InChIKey of 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
The InChIKey is PLMLCQIDXYMECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-17-7-4-8-18(16(17)12-21)22-19(11-14-9-10-23-13-14)15-5-2-1-3-6-15/h1-8,14,19,22H,9-11,13H2.
What are the key properties of 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile?
2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile has a molecular weight of 310.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile is sourced from PubChem (CID 133413488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).