2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile

C16H15FN2O — CID 43609103

IUPAC2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
SMILESCNC(C)c1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C16H15FN2O/c1-11(19-2)12-6-8-13(9-7-12)20-16-5-3-4-15(17)14(16)10-18/h3-9,11,19H,1-2H3
InChIKeyGGESALGMHJXUHT-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.77
Rot. Bonds4

About 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile

2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile (PubChem CID 43609103) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
PubChem CID43609103
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile
SMILESCNC(C)c1ccc(Oc2cccc(F)c2C#N)cc1
InChIInChI=1S/C16H15FN2O/c1-11(19-2)12-6-8-13(9-7-12)20-16-5-3-4-15(17)14(16)10-18/h3-9,11,19H,1-2H3
InChIKeyGGESALGMHJXUHT-UHFFFAOYSA-N
XLogP3.77
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(4-propan-2-ylphenoxy)benzonitrile
CID 79513583
2-fluoro-6-[4-(1-hydroxyethyl)phenoxy]benzonitrile
CID 43609128
1-[4-(2,3-difluorophenoxy)phenyl]-N-methylethanamine
CID 63036952
2-fluoro-6-(4-propan-2-yloxyphenoxy)benzonitrile
CID 154966368
2-(4-aminophenoxy)-6-fluorobenzonitrile
CID 43609010
2-(4-bromophenoxy)-6-fluorobenzonitrile
CID 9029439
2-(4-ethylphenoxy)-6-fluorobenzonitrile
CID 52855348
2-[4-[3-fluoro-2-[1-(methylamino)ethyl]phenoxy]phenyl]acetonitrile
CID 43285331
2-fluoro-6-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372522
2-(4-cyano-3-fluorophenoxy)-6-fluorobenzonitrile
CID 78952780
1-[2-fluoro-6-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285104
1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile (CID 43609103) is 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile is CNC(C)c1ccc(Oc2cccc(F)c2C#N)cc1.
What is the InChIKey of 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile?
The InChIKey is GGESALGMHJXUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11(19-2)12-6-8-13(9-7-12)20-16-5-3-4-15(17)14(16)10-18/h3-9,11,19H,1-2H3.
What are the key properties of 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile?
2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[1-(methylamino)ethyl]phenoxy]benzonitrile is sourced from PubChem (CID 43609103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).