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

C18H19FN2O — CID 82019969

IUPAC2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
SMILESCCOc1ccc(C(C#N)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O/c1-2-22-17-9-5-15(6-10-17)18(13-20)21-12-11-14-3-7-16(19)8-4-14/h3-10,18,21H,2,11-12H2,1H3
InChIKeyVHNXTGVMFBITMV-UHFFFAOYSA-N
MW298.36 g/mol
LogP3.62
Rot. Bonds7

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

2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile (PubChem CID 82019969) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
PubChem CID82019969
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
SMILESCCOc1ccc(C(C#N)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN2O/c1-2-22-17-9-5-15(6-10-17)18(13-20)21-12-11-14-3-7-16(19)8-4-14/h3-10,18,21H,2,11-12H2,1H3
InChIKeyVHNXTGVMFBITMV-UHFFFAOYSA-N
XLogP3.62
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-fluorophenyl)ethylamino]-2-(4-hydroxyphenyl)acetonitrile
CID 84817722
2-(4-chlorophenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019907
2-(butylamino)-2-(4-ethoxyphenyl)acetonitrile
CID 82019956
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
ethyl 2-[[cyano-(4-fluorophenyl)methyl]amino]acetate
CID 112500750
N-[cyano-(4-methylphenyl)methyl]-2-(4-ethoxyphenyl)acetamide
CID 110664177
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-(4-ethylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 54886631

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
The IUPAC name of 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile (CID 82019969) is 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile is CCOc1ccc(C(C#N)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
The InChIKey is VHNXTGVMFBITMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-2-22-17-9-5-15(6-10-17)18(13-20)21-12-11-14-3-7-16(19)8-4-14/h3-10,18,21H,2,11-12H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile?
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile has a molecular weight of 298.36 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile is sourced from PubChem (CID 82019969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).