2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile

C16H15FN2O — CID 43721226

IUPAC2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile
SMILESCC(Nc1cccc(OCC#N)c1)c1ccccc1F
InChIInChI=1S/C16H15FN2O/c1-12(15-7-2-3-8-16(15)17)19-13-5-4-6-14(11-13)20-10-9-18/h2-8,11-12,19H,10H2,1H3
InChIKeyASJJKAOYGWLONA-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.90
Rot. Bonds5

About 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile

2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile (PubChem CID 43721226) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile
PubChem CID43721226
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile
SMILESCC(Nc1cccc(OCC#N)c1)c1ccccc1F
InChIInChI=1S/C16H15FN2O/c1-12(15-7-2-3-8-16(15)17)19-13-5-4-6-14(11-13)20-10-9-18/h2-8,11-12,19H,10H2,1H3
InChIKeyASJJKAOYGWLONA-UHFFFAOYSA-N
XLogP3.90
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
CID 115994291
2-[3-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81363735
2-[3-[1-(4-methylsulfanylphenyl)ethylamino]phenoxy]acetonitrile
CID 43721178
2-[3-[1-(3-bromophenyl)ethylamino]phenoxy]acetonitrile
CID 43721240
2-[3-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetonitrile
CID 104652526
methyl 2-[3-(cyanomethoxy)anilino]propanoate
CID 66172112
2-[3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenoxy]acetonitrile
CID 43721074
2-[3-(1-methylsulfonylpropan-2-ylamino)phenoxy]acetonitrile
CID 64628725
[3-[1-(2-fluorophenyl)ethylamino]phenyl]methanol
CID 43715146
2-[1-(3-ethoxyanilino)ethyl]phenol
CID 54865033
2-[4-[1-(2-chlorophenyl)ethylamino]phenoxy]acetonitrile
CID 43181580
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile (CID 43721226) is 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile is CC(Nc1cccc(OCC#N)c1)c1ccccc1F.
What is the InChIKey of 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile?
The InChIKey is ASJJKAOYGWLONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-12(15-7-2-3-8-16(15)17)19-13-5-4-6-14(11-13)20-10-9-18/h2-8,11-12,19H,10H2,1H3.
What are the key properties of 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile?
2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile is sourced from PubChem (CID 43721226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).