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

C17H17FN2O — CID 115994291

IUPAC2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
SMILESCCC(Nc1cccc(OCC#N)c1)c1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-2-17(15-8-3-4-9-16(15)18)20-13-6-5-7-14(12-13)21-11-10-19/h3-9,12,17,20H,2,11H2,1H3
InChIKeyAUGIKQFYOTYXKM-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.29
Rot. Bonds6

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

2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile (PubChem CID 115994291) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
PubChem CID115994291
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
SMILESCCC(Nc1cccc(OCC#N)c1)c1ccccc1F
InChIInChI=1S/C17H17FN2O/c1-2-17(15-8-3-4-9-16(15)18)20-13-6-5-7-14(12-13)21-11-10-19/h3-9,12,17,20H,2,11H2,1H3
InChIKeyAUGIKQFYOTYXKM-UHFFFAOYSA-N
XLogP4.29
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(2-fluorophenyl)ethylamino]phenoxy]acetonitrile
CID 43721226
2-[3-[1-(4-methylphenyl)propylamino]phenoxy]acetonitrile
CID 43721247
2-[3-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenoxy]acetonitrile
CID 81363735
1-(2-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65379421
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
CID 115994254
3-bromo-N-[1-(2-fluorophenyl)propyl]-5-methoxyaniline
CID 115994440
2-[3-(nonan-2-ylamino)phenoxy]acetonitrile
CID 43721190
methyl 2-[3-(cyanomethoxy)anilino]propanoate
CID 66172112
2-[3-[1-(4-methylsulfanylphenyl)ethylamino]phenoxy]acetonitrile
CID 43721178
2-[3-(1-methylsulfonylpropan-2-ylamino)phenoxy]acetonitrile
CID 64628725
4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
2-[3-[1-(3-bromophenyl)ethylamino]phenoxy]acetonitrile
CID 43721240

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile (CID 115994291) is 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile is CCC(Nc1cccc(OCC#N)c1)c1ccccc1F.
What is the InChIKey of 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile?
The InChIKey is AUGIKQFYOTYXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-17(15-8-3-4-9-16(15)18)20-13-6-5-7-14(12-13)21-11-10-19/h3-9,12,17,20H,2,11H2,1H3.
What are the key properties of 2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile?
2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile has a molecular weight of 284.33 g/mol, XLogP of 4.29, 6 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)propylamino]phenoxy]acetonitrile is sourced from PubChem (CID 115994291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).