2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile

C16H15FN2O — CID 84817722

IUPAC2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(NCCc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H15FN2O/c17-14-5-1-12(2-6-14)9-10-19-16(11-18)13-3-7-15(20)8-4-13/h1-8,16,19-20H,9-10H2
InChIKeyBWLCVSUPMDUFMD-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile

2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile (PubChem CID 84817722) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
PubChem CID84817722
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
SMILESN#CC(NCCc1ccc(F)cc1)c1ccc(O)cc1
InChIInChI=1S/C16H15FN2O/c17-14-5-1-12(2-6-14)9-10-19-16(11-18)13-3-7-15(20)8-4-13/h1-8,16,19-20H,9-10H2
InChIKeyBWLCVSUPMDUFMD-UHFFFAOYSA-N
XLogP2.93
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019969
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
2-[(4-chlorophenyl)methylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817645
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
N-[3-[[cyano-(4-fluorophenyl)methyl]amino]propyl]acetamide
CID 84817840
2-(4-hydroxyphenyl)-2-(2-methylpropylamino)acetonitrile
CID 61005792
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
1-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethylamino]propan-1-one;hydrate;hydrochloride
CID 3031074
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile (CID 84817722) is 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile is N#CC(NCCc1ccc(F)cc1)c1ccc(O)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is BWLCVSUPMDUFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-5-1-12(2-6-14)9-10-19-16(11-18)13-3-7-15(20)8-4-13/h1-8,16,19-20H,9-10H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile?
2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 84817722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).